data_1wxn_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 1wxn _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.512 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 4.9 p . . . . . 0 C--O 1.236 0.367 0 CA-C-O 121.361 0.6 . . . . 0.0 110.514 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.74 138.69 55.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.158 -0.928 . . . . 0.0 112.213 -173.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 53.6 t -142.4 148.71 38.29 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.084 175.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.7 p -133.09 134.01 43.71 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 120.971 0.415 . . . . 0.0 110.773 -178.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 76.9 m -124.11 92.36 3.65 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 176.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.67 -87.94 0.36 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 121.146 -0.55 . . . . 0.0 111.808 -178.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -118.61 -17.17 9.35 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.177 0.513 . . . . 0.0 110.353 177.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.1 m -79.34 133.78 36.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.649 -178.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.498 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 95.8 mttt -121.72 131.19 53.94 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -177.231 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.46 ' CA ' ' HD2' ' A' ' 40' ' ' PRO . . . -162.53 -150.28 5.95 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 119.734 -1.222 . . . . 0.0 114.019 -177.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.3 mm -125.39 136.8 59.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.298 -0.451 . . . . 0.0 110.161 -171.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.512 ' CE1' ' HB ' ' A' ' 2' ' ' THR . 20.6 p90 -106.65 141.9 37.16 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.585 177.431 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.482 ' HB3' ' HB2' ' A' ' 17' ' ' ARG . 24.7 m95 -105.4 137.97 42.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.227 -175.247 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -79.18 106.61 11.34 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.337 -175.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.426 ' O ' ' HD3' ' A' ' 18' ' ' PRO . 86.1 m-85 58.68 16.64 4.5 Favored 'General case' 0 C--O 1.248 1.023 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 175.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.482 ' HB2' ' HB3' ' A' ' 14' ' ' TRP . 17.3 mmm180 -91.15 108.41 28.21 Favored Pre-proline 0 C--N 1.343 0.293 0 O-C-N 123.642 0.589 . . . . 0.0 110.26 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' A' ' 16' ' ' TYR . 6.2 Cg_exo -79.17 4.86 6.2 Favored 'Trans proline' 0 C--O 1.247 0.949 0 C-N-CA 123.144 2.562 . . . . 0.0 111.357 178.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.5 m -113.21 91.82 3.78 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.17 -177.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.4 t -97.9 112.98 63.09 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.037 178.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -70.97 100.95 1.02 Allowed 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.909 2.406 . . . . 0.0 111.377 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.0 t -77.29 -4.02 42.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.206 0.527 . . . . 0.0 110.721 -171.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -77.61 -2.11 34.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.891 -177.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -93.08 19.78 7.53 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.017 0.437 . . . . 0.0 110.292 176.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.56 30.33 66.7 Favored Glycine 0 C--O 1.25 1.139 0 CA-C-N 115.789 -0.641 . . . . 0.0 113.112 176.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -71.05 130.3 41.18 Favored 'General case' 0 C--N 1.347 0.493 0 O-C-N 123.791 0.348 . . . . 0.0 110.491 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.4 m -95.97 -44.35 7.4 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.959 -175.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -126.95 168.23 19.17 Favored Glycine 0 N--CA 1.443 -0.893 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.41 -178.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.6 m -140.39 115.29 9.66 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 177.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 33.6 m -117.74 160.02 22.04 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.306 -176.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -90.0 109.38 20.42 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.139 0.495 . . . . 0.0 109.813 175.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.541 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 20.5 t80 -94.62 151.19 19.51 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 176.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.466 ' HB2' HD22 ' A' ' 34' ' ' LEU . 83.1 m-85 -44.31 -48.95 9.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 123.277 0.36 . . . . 0.0 111.865 -177.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.466 HD22 ' HB2' ' A' ' 33' ' ' PHE . 2.7 mm? -96.15 3.2 53.42 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -173.022 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.448 ' HA3' ' O ' ' A' ' 14' ' ' TRP . . . 161.44 -156.53 28.02 Favored Glycine 0 C--N 1.332 0.339 0 C-N-CA 118.873 -1.632 . . . . 0.0 114.535 177.326 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.2 m -87.24 118.02 26.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.38 -0.41 . . . . 0.0 111.027 -173.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.541 ' HB2' ' HB2' ' A' ' 32' ' ' TYR . 17.8 t -89.48 109.22 20.17 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.948 0.404 . . . . 0.0 110.779 -179.015 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 62.3 m -101.79 107.73 19.02 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.764 178.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.443 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 1.8 p -113.36 113.35 48.57 Favored Pre-proline 0 C--N 1.325 -0.476 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -172.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.498 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 74.0 Cg_endo -92.5 -105.44 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.179 0 C-N-CA 122.926 2.417 . . . . 0.0 110.869 163.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -160.24 56.83 0.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.981 0.42 . . . . 0.0 109.977 175.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 34.5 t70 . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.7 -176.447 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 16.7 p . . . . . 0 C--O 1.235 0.314 0 CA-C-O 121.435 0.636 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.18 144.84 54.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.331 -178.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 30.9 t -152.41 148.72 27.79 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.642 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 p -141.18 128.24 20.75 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.233 0.539 . . . . 0.0 112.43 -177.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 61.1 m -105.87 86.32 2.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.239 174.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.0 -104.94 0.88 Allowed Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.165 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -84.65 -29.76 25.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.751 0.31 . . . . 0.0 110.55 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.4 m -80.74 120.99 25.34 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 -176.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.526 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 95.1 mttt -123.37 134.25 54.02 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.391 -0.226 . . . . 0.0 110.391 -175.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.42 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -171.87 -137.62 2.37 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.412 -0.899 . . . . 0.0 113.121 -178.003 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 42.3 mm -128.93 139.57 51.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 C-N-CA 122.359 0.263 . . . . 0.0 110.383 -172.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.638 ' HE2' ' HB2' ' A' ' 34' ' ' LEU . 5.6 p90 -103.54 139.18 39.22 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 119.857 -0.737 . . . . 0.0 110.468 177.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 15.9 m95 -105.26 148.45 26.97 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.275 -177.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.443 ' HA ' ' O ' ' A' ' 34' ' ' LEU . 89.0 m-85 -79.54 95.99 6.0 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.873 0.368 . . . . 0.0 111.468 -175.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.731 ' H ' ' HA3' ' A' ' 35' ' ' GLY . 68.5 m-85 54.39 76.27 0.25 Allowed 'General case' 0 C--O 1.249 1.032 0 CA-C-N 114.804 -1.089 . . . . 0.0 111.838 176.089 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -116.23 114.84 40.72 Favored Pre-proline 0 N--CA 1.452 -0.35 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.568 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -76.2 10.63 2.03 Favored 'Trans proline' 0 C--O 1.252 1.201 0 C-N-CA 123.032 2.488 . . . . 0.0 112.219 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.8 m -154.38 110.43 3.23 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.807 177.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.0 t -86.5 122.19 72.0 Favored Pre-proline 0 C--N 1.319 -0.736 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 176.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.591 ' HB2' ' HD3' ' A' ' 24' ' ' ARG . 37.1 Cg_endo -68.67 74.19 0.88 Allowed 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.843 2.362 . . . . 0.0 112.033 178.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.45 ' HA ' ' HB2' ' A' ' 26' ' ' TYR . 8.8 t -77.4 3.51 13.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.487 -171.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -79.72 -5.11 54.58 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.318 0.58 . . . . 0.0 109.666 175.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.591 ' HD3' ' HB2' ' A' ' 21' ' ' PRO . 26.6 mtp180 -107.46 38.9 2.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.151 -175.255 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.29 -18.15 47.25 Favored Glycine 0 C--O 1.249 1.045 0 C-N-CA 120.834 -0.698 . . . . 0.0 113.667 172.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.557 ' HE2' ' HG2' ' A' ' 21' ' ' PRO . 26.3 m-85 -55.84 135.08 52.15 Favored 'General case' 0 C--N 1.347 0.478 0 O-C-N 123.755 0.327 . . . . 0.0 110.886 -178.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 13.2 t -116.8 -19.66 9.8 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.07 0.462 . . . . 0.0 110.191 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -131.88 154.97 21.2 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 121.113 -0.565 . . . . 0.0 111.993 178.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.6 m -141.21 87.61 2.1 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.161 0.505 . . . . 0.0 109.772 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 12.1 m -92.43 151.43 20.23 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.645 -176.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -79.64 110.99 15.49 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.297 0.57 . . . . 0.0 109.57 173.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.494 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 43.4 t80 -99.7 158.31 15.86 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 177.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -45.85 -49.49 15.29 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.83 0.348 . . . . 0.0 111.796 -178.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.638 ' HB2' ' HE2' ' A' ' 13' ' ' TYR . 2.6 mm? -98.17 9.42 42.97 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -174.33 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.731 ' HA3' ' H ' ' A' ' 16' ' ' TYR . . . 153.24 -135.06 4.68 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 119.073 -1.537 . . . . 0.0 114.529 172.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.8 m -106.11 110.69 23.02 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.899 0.38 . . . . 0.0 110.926 -171.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.494 ' HB2' ' HB2' ' A' ' 32' ' ' TYR . 39.7 t -83.5 98.17 9.4 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.1 0.476 . . . . 0.0 110.075 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 97.2 m -91.92 108.66 20.09 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.831 -179.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.42 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 9.2 p -117.46 116.77 36.83 Favored Pre-proline 0 C--N 1.317 -0.808 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -172.425 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.526 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 38.2 Cg_endo -90.85 -98.44 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.115 0 C-N-CA 122.695 2.263 . . . . 0.0 111.126 164.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -153.96 21.96 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.187 0.517 . . . . 0.0 110.187 174.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.7 t70 . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.308 -0.853 . . . . 0.0 110.28 -173.155 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.8 p . . . . . 0 C--O 1.233 0.187 0 CA-C-O 121.312 0.577 . . . . 0.0 110.497 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.98 137.39 38.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.979 -173.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.538 ' SG ' ' HB3' ' A' ' 13' ' ' TYR . 26.7 p -141.48 158.15 44.22 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.114 176.111 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 p -142.8 133.53 25.31 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.035 0.445 . . . . 0.0 111.136 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 19.2 p -134.17 132.49 39.87 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 178.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.59 -102.38 0.74 Allowed Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.814 -0.707 . . . . 0.0 111.461 -175.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -129.68 9.71 5.5 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.604 0.24 . . . . 0.0 110.973 178.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.6 p -109.71 138.26 46.34 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.106 0.479 . . . . 0.0 111.438 -178.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.509 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 49.6 mtpt -116.9 136.9 52.59 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.232 -178.221 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.485 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -169.87 -142.6 3.62 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.101 -1.047 . . . . 0.0 113.395 179.055 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 47.1 mm -126.07 132.08 70.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 -172.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.538 ' HB3' ' SG ' ' A' ' 4' ' ' CYS . 9.0 p90 -94.87 139.78 30.83 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.087 -0.645 . . . . 0.0 109.956 177.01 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.455 ' O ' ' HA3' ' A' ' 35' ' ' GLY . 41.7 m95 -106.22 150.32 26.0 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.422 -178.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -80.14 96.11 6.44 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.811 0.339 . . . . 0.0 111.42 -175.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.666 ' H ' ' HA3' ' A' ' 35' ' ' GLY . 82.5 m-85 51.6 78.63 0.11 Allowed 'General case' 0 C--O 1.251 1.16 0 CA-C-N 114.922 -1.036 . . . . 0.0 112.391 176.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -116.47 121.74 32.87 Favored Pre-proline 0 C--N 1.344 0.355 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.816 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -62.64 -12.38 28.14 Favored 'Trans proline' 0 C--O 1.25 1.117 0 C-N-CA 123.222 2.615 . . . . 0.0 113.102 -175.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.1 m -147.79 144.68 28.38 Favored 'General case' 0 N--CA 1.452 -0.345 0 O-C-N 123.752 0.658 . . . . 0.0 109.829 179.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.4 t -99.87 121.23 54.93 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.188 176.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.421 ' O ' ' HD2' ' A' ' 26' ' ' TYR . 46.7 Cg_endo -70.27 87.68 0.61 Allowed 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 122.362 2.041 . . . . 0.0 111.699 177.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.4 p -77.11 -8.83 58.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.375 0.607 . . . . 0.0 110.479 -176.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -79.14 -11.73 59.98 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.875 177.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.57 33.57 1.42 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.568 178.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.54 ' O ' ' HB3' ' A' ' 40' ' ' PRO . . . 90.18 -30.22 6.06 Favored Glycine 0 C--O 1.247 0.925 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.903 175.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.58 ' HD1' ' HD3' ' A' ' 40' ' ' PRO . 37.7 m-85 -58.75 129.42 42.02 Favored 'General case' 0 C--N 1.346 0.43 0 O-C-N 124.178 0.575 . . . . 0.0 110.741 -177.084 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.4 m -104.59 -40.27 6.08 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.079 0.466 . . . . 0.0 110.766 -175.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -110.94 149.08 17.81 Favored Glycine 0 N--CA 1.441 -0.988 0 C-N-CA 120.954 -0.641 . . . . 0.0 111.663 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.9 p -128.09 90.87 3.16 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.198 0.523 . . . . 0.0 110.207 179.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 59.7 m -96.37 145.11 25.9 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.33 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.448 ' HD3' ' C ' ' A' ' 31' ' ' ARG . 0.1 OUTLIER -82.83 123.94 29.84 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.344 -0.542 . . . . 0.0 109.56 -179.74 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -108.67 154.46 21.97 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -48.93 -39.34 25.81 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.945 0.402 . . . . 0.0 111.773 -177.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.509 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 2.6 mm? -94.96 -2.2 50.95 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -175.44 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.666 ' HA3' ' H ' ' A' ' 16' ' ' TYR . . . 158.38 -128.01 1.99 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 119.635 -1.269 . . . . 0.0 114.051 174.138 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.5 m -114.3 111.6 21.76 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 120.892 0.377 . . . . 0.0 110.842 -173.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.524 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 43.0 t -83.46 99.13 9.9 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.002 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.467 ' HB3' ' CG ' ' A' ' 26' ' ' TYR . 94.1 m -92.47 115.39 28.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.148 -179.267 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.485 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 21.5 p -122.77 114.97 29.62 Favored Pre-proline 0 C--N 1.322 -0.588 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 -170.141 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.58 ' HD3' ' HD1' ' A' ' 26' ' ' TYR . 29.1 Cg_endo -97.49 -93.34 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.127 0 C-N-CA 123.054 2.503 . . . . 0.0 111.257 161.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -157.62 57.1 0.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.596 175.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 33.9 t70 . . . . . 0 C--O 1.246 0.891 0 CA-C-O 118.507 -0.759 . . . . 0.0 110.922 -176.577 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.479 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 16.9 p . . . . . 0 C--O 1.234 0.266 0 CA-C-O 121.557 0.694 . . . . 0.0 110.387 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.33 137.43 56.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.878 -175.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 43.4 t -141.72 154.56 45.37 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.236 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.6 m -146.34 140.87 26.71 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.443 0.639 . . . . 0.0 111.792 -177.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 59.7 m -130.75 94.86 3.71 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.814 -1.084 . . . . 0.0 108.507 174.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.16 -118.88 7.64 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.654 -0.784 . . . . 0.0 111.68 -176.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -88.84 -14.06 37.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.066 0.46 . . . . 0.0 109.884 175.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.5 m -79.31 118.04 20.86 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.766 -177.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.598 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 36.2 mtmm -122.56 134.21 54.54 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.848 -176.318 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.405 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -166.57 -146.34 4.81 Favored Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 120.191 -1.004 . . . . 0.0 113.002 -177.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 47.1 mm -127.31 138.8 53.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -173.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.479 ' CE1' ' HB ' ' A' ' 2' ' ' THR . 5.4 p90 -101.68 137.0 40.57 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.39 177.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 22.9 m95 -102.44 144.64 30.64 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.583 -177.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -79.43 102.18 8.59 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.784 -0.189 . . . . 0.0 111.071 -177.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 55.89 61.28 2.85 Favored 'General case' 0 C--O 1.253 1.253 0 O-C-N 123.806 0.692 . . . . 0.0 111.815 176.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.1 mtp180 -141.46 72.91 25.45 Favored Pre-proline 0 C--N 1.343 0.324 0 O-C-N 123.91 0.756 . . . . 0.0 110.761 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -58.77 -19.79 48.23 Favored 'Trans proline' 0 C--O 1.25 1.097 0 C-N-CA 122.685 2.257 . . . . 0.0 111.674 -178.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.9 m -90.69 69.9 6.65 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.024 177.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.3 t -71.93 123.32 89.28 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.651 -176.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -78.94 102.29 1.52 Allowed 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 122.609 2.206 . . . . 0.0 111.339 178.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.5 ' HA ' ' HD2' ' A' ' 26' ' ' TYR . 6.0 t -79.2 65.29 4.33 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 122.318 1.056 . . . . 0.0 111.205 -175.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -79.6 -29.11 41.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.305 176.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.7 mtm180 -106.85 20.49 18.96 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.994 -177.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.409 ' O ' ' HB3' ' A' ' 40' ' ' PRO . . . 66.84 52.83 30.84 Favored Glycine 0 C--O 1.248 1.027 0 CA-C-N 116.07 -0.514 . . . . 0.0 113.452 175.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.5 ' HD2' ' HA ' ' A' ' 22' ' ' THR . 61.2 m-85 -66.03 121.2 14.59 Favored 'General case' 0 C--N 1.346 0.454 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.0 m -88.68 -45.74 9.58 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.211 -171.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -120.84 159.37 15.49 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.515 -175.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.7 t -128.92 122.83 31.1 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 177.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.416 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 56.1 m -124.65 151.26 45.13 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 178.207 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.13 102.17 14.89 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.132 -0.627 . . . . 0.0 109.369 177.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.583 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 34.9 t80 -84.38 157.53 21.41 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.465 -0.788 . . . . 0.0 109.298 -178.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.564 ' HB3' HD21 ' A' ' 34' ' ' LEU . 25.4 t80 -44.68 -46.79 10.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 123.471 0.482 . . . . 0.0 112.086 -176.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.564 HD21 ' HB3' ' A' ' 33' ' ' PHE . 2.9 mm? -102.47 6.09 39.89 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -174.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 161.21 -144.78 10.17 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 118.713 -1.708 . . . . 0.0 114.441 177.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.2 m -98.12 115.75 28.92 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 122.513 0.325 . . . . 0.0 111.128 -172.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.583 ' HB2' ' HB2' ' A' ' 32' ' ' TYR . 37.8 t -87.28 108.22 18.85 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.9 0.381 . . . . 0.0 110.757 -179.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 60.2 m -100.27 111.4 23.68 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.057 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.405 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 16.5 p -119.89 113.6 34.35 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -173.227 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.598 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 24.6 Cg_endo -95.39 -90.63 0.0 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.305 0 C-N-CA 122.918 2.412 . . . . 0.0 111.042 163.441 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -168.25 50.9 0.05 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.226 179.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 . . . . . 0 C--O 1.251 1.153 0 CA-C-O 118.186 -0.912 . . . . 0.0 110.758 -177.996 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.7 p . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 121.368 0.604 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -80.84 150.88 28.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.621 -176.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 14.6 p -145.14 161.72 38.8 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.462 176.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 p -133.62 134.48 43.29 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.379 0.609 . . . . 0.0 111.797 -175.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 70.7 m -127.17 89.86 3.04 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.664 176.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.87 -108.09 2.36 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 121.006 -0.616 . . . . 0.0 111.96 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -102.4 -5.72 23.81 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.971 0.415 . . . . 0.0 110.666 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.0 m -101.05 126.19 47.71 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.142 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.5 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -126.74 143.09 51.35 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 -178.094 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.418 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -170.38 -143.63 4.02 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.372 -0.918 . . . . 0.0 112.745 -178.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 44.7 mm -124.82 140.68 47.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -173.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.487 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 2.0 p90 -97.05 131.74 43.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.482 0.658 . . . . 0.0 109.98 177.49 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 20.9 m95 -97.15 154.95 17.05 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 114.81 -1.086 . . . . 0.0 109.169 -179.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -85.71 83.38 7.88 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.791 0.329 . . . . 0.0 110.322 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.437 ' H ' ' HA3' ' A' ' 35' ' ' GLY . 81.5 m-85 67.45 86.88 0.13 Allowed 'General case' 0 C--O 1.249 1.065 0 CA-C-N 114.942 -1.026 . . . . 0.0 111.975 177.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -131.5 87.73 45.62 Favored Pre-proline 0 C--N 1.346 0.444 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.018 177.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -64.03 -7.65 14.04 Favored 'Trans proline' 0 C--O 1.248 1.001 0 C-N-CA 123.123 2.549 . . . . 0.0 112.317 179.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.0 m -136.65 66.55 1.48 Allowed 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.45 175.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.445 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 34.7 t -64.75 125.08 88.13 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.164 -179.079 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 20' ' ' CYS . 8.2 Cg_exo -69.33 108.38 1.98 Allowed 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 123.224 2.616 . . . . 0.0 111.879 -177.351 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 37.1 p -79.03 29.18 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -171.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -77.21 -22.33 52.48 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.651 0.262 . . . . 0.0 111.372 -172.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -79.71 -0.89 36.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.506 0.669 . . . . 0.0 109.742 172.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.59 45.55 7.83 Favored Glycine 0 C--O 1.246 0.85 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -176.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.402 ' HA ' ' HB3' ' A' ' 40' ' ' PRO . 13.3 m-85 -62.83 129.29 39.78 Favored 'General case' 0 C--N 1.347 0.483 0 O-C-N 124.244 0.614 . . . . 0.0 111.029 -175.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.4 m -96.36 -48.21 5.68 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.677 -177.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -120.73 153.12 16.71 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.705 -178.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.7 p -129.03 82.01 2.06 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.474 0.654 . . . . 0.0 109.902 177.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.454 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 47.7 m -84.77 159.48 20.45 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.227 -176.432 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -90.47 117.83 29.47 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.007 0.432 . . . . 0.0 110.129 177.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -102.62 156.87 17.33 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 177.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.571 ' HB2' HD21 ' A' ' 34' ' ' LEU . 62.0 m-85 -49.24 -38.75 27.73 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -174.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.571 HD21 ' HB2' ' A' ' 33' ' ' PHE . 2.2 mm? -108.27 7.03 27.11 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.376 0.509 . . . . 0.0 112.376 -174.361 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.437 ' HA3' ' H ' ' A' ' 16' ' ' TYR . . . 163.2 -140.01 6.24 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 118.899 -1.619 . . . . 0.0 114.324 177.096 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.7 m -110.62 113.46 26.1 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.822 0.344 . . . . 0.0 111.195 -170.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.487 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 25.3 t -80.53 99.44 8.06 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.417 179.418 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 64.6 m -93.02 107.68 19.42 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.996 -178.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.418 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 6.1 p -116.0 107.19 48.37 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 115.756 -0.657 . . . . 0.0 112.7 -171.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.5 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 74.1 Cg_endo -92.89 -94.68 0.0 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.076 0 C-N-CA 122.631 2.221 . . . . 0.0 111.425 166.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -151.06 17.19 0.76 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.456 0.646 . . . . 0.0 109.488 176.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.253 1.252 0 CA-C-O 118.202 -0.904 . . . . 0.0 109.825 -172.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.535 ' HB ' ' CE2' ' A' ' 13' ' ' TYR . 18.5 p . . . . . 0 N--CA 1.452 -0.36 0 CA-C-O 121.26 0.553 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.03 140.2 57.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.514 -176.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 54.1 t -146.01 154.32 41.75 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.461 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.3 t -139.12 141.47 38.09 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.5 0.667 . . . . 0.0 111.399 -178.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 83.1 m -122.65 81.01 1.8 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.908 -1.042 . . . . 0.0 108.812 174.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.56 -95.44 0.53 Allowed Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.1 -179.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -108.92 -10.97 15.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.728 0.299 . . . . 0.0 110.866 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.2 m -90.02 109.02 20.09 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 177.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.478 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 27.9 mtmm -108.11 143.39 36.93 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.591 -178.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -170.87 -141.23 3.25 Favored Glycine 0 N--CA 1.441 -0.981 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.436 -179.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.6 mm -129.04 137.16 57.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -174.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.535 ' CE2' ' HB ' ' A' ' 2' ' ' THR . 3.1 p90 -95.38 131.06 41.9 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 119.881 -0.728 . . . . 0.0 109.448 175.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.407 ' O ' ' HA3' ' A' ' 35' ' ' GLY . 40.8 m95 -98.88 144.57 27.93 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.971 -176.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -78.32 101.49 7.22 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.835 0.35 . . . . 0.0 110.271 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 62.36 77.96 0.31 Allowed 'General case' 0 C--O 1.251 1.153 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.691 177.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 86.2 mmt-85 -135.47 71.86 65.45 Favored Pre-proline 0 C--N 1.346 0.443 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.644 176.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.28 -21.43 22.85 Favored 'Trans proline' 0 C--O 1.25 1.091 0 C-N-CA 122.922 2.414 . . . . 0.0 112.404 -177.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.3 t -127.68 87.9 2.7 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 175.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.2 t -66.83 129.68 94.04 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.56 -171.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -75.0 98.12 1.14 Allowed 'Trans proline' 0 N--CA 1.461 -0.408 0 C-N-CA 122.843 2.362 . . . . 0.0 111.126 176.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.536 ' HA ' ' CD2' ' A' ' 26' ' ' TYR . 5.0 t -79.02 87.19 4.83 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 122.177 0.989 . . . . 0.0 111.187 -175.137 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -83.0 -28.0 30.0 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.968 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -128.07 36.66 4.28 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.032 0.444 . . . . 0.0 111.417 -174.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.44 ' O ' ' HB3' ' A' ' 40' ' ' PRO . . . 61.93 56.69 21.13 Favored Glycine 0 C--O 1.25 1.1 0 CA-C-N 115.749 -0.66 . . . . 0.0 113.248 177.079 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.536 ' CD2' ' HA ' ' A' ' 22' ' ' THR . 23.1 m-85 -59.48 118.05 5.58 Favored 'General case' 0 C--N 1.345 0.372 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 176.135 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.3 m -86.47 -37.66 18.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.795 0.331 . . . . 0.0 110.921 -171.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -123.75 157.3 18.15 Favored Glycine 0 N--CA 1.441 -1.001 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.083 178.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.8 m -133.81 82.86 2.0 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 176.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.44 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 36.3 m -85.35 157.38 20.55 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.374 -178.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -89.2 122.87 32.91 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.277 177.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -108.05 156.39 19.31 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.631 -0.878 . . . . 0.0 108.631 176.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.47 ' HB2' HD21 ' A' ' 34' ' ' LEU . 94.6 m-85 -47.0 -44.34 20.15 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -175.587 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.47 HD21 ' HB2' ' A' ' 33' ' ' PHE . 2.7 mm? -101.19 1.26 38.86 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -173.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.407 ' HA3' ' O ' ' A' ' 14' ' ' TRP . . . 165.87 -143.36 8.35 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 119.073 -1.537 . . . . 0.0 114.117 178.427 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.2 m -106.42 118.07 35.68 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.162 0.506 . . . . 0.0 111.378 -172.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 41.2 t -81.96 96.98 7.87 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.157 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.416 ' HB3' ' CG ' ' A' ' 26' ' ' TYR . 57.4 m -91.77 109.08 20.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.027 -177.441 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 16.6 p -124.32 112.95 27.86 Favored Pre-proline 0 C--N 1.322 -0.626 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 -170.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.478 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 37.9 Cg_endo -98.98 -94.69 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.145 0 C-N-CA 123.022 2.481 . . . . 0.0 111.544 163.431 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -152.72 45.5 0.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 175.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.7 t70 . . . . . 0 C--O 1.249 1.047 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.075 -171.904 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.569 ' HB ' ' CE2' ' A' ' 13' ' ' TYR . 18.2 p . . . . . 0 C--O 1.234 0.257 0 CA-C-O 121.277 0.56 . . . . 0.0 110.476 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.64 163.23 14.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.482 -174.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.4 p -156.1 163.58 39.47 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.155 176.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.3 t -141.43 138.91 33.25 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.446 0.641 . . . . 0.0 111.315 -175.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 55.8 m -121.24 78.42 1.41 Allowed 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.056 -0.975 . . . . 0.0 108.875 176.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.14 -100.22 0.38 Allowed Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.529 -0.759 . . . . 0.0 112.299 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -86.13 -31.32 21.91 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.776 0.322 . . . . 0.0 110.849 -179.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.1 m -86.25 129.29 34.9 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.15 -177.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.602 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 9.7 ptpp? -130.65 137.67 49.7 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 121.158 -0.217 . . . . 0.0 110.504 -177.547 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -170.18 -142.83 3.71 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.062 -1.066 . . . . 0.0 113.593 -177.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.6 mm -127.3 141.69 45.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -171.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.569 ' CE2' ' HB ' ' A' ' 2' ' ' THR . 3.0 p90 -97.93 134.68 40.72 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 121.501 0.667 . . . . 0.0 110.111 177.613 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 22.5 m95 -104.06 167.86 9.49 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.957 -1.02 . . . . 0.0 109.179 179.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -97.99 105.8 18.0 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 120.61 0.243 . . . . 0.0 110.772 -177.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.455 ' H ' ' HA3' ' A' ' 35' ' ' GLY . 62.3 m-85 53.99 73.99 0.35 Allowed 'General case' 0 C--O 1.25 1.107 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.924 178.21 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.7 mmt180 -119.58 111.2 36.43 Favored Pre-proline 0 C--N 1.341 0.234 0 CA-C-N 116.207 -0.452 . . . . 0.0 109.969 177.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -62.97 -12.39 29.32 Favored 'Trans proline' 0 C--O 1.249 1.069 0 C-N-CA 123.024 2.483 . . . . 0.0 111.929 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.2 p -159.24 134.67 8.45 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 114.804 -1.089 . . . . 0.0 109.242 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 73.7 m -78.98 128.7 75.56 Favored Pre-proline 0 C--N 1.318 -0.8 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.45 178.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -62.42 92.67 0.13 Allowed 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.477 2.118 . . . . 0.0 110.294 174.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.0 t -79.79 55.45 2.05 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.679 0.752 . . . . 0.0 112.497 -166.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -79.66 -38.81 32.84 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 174.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 -84.39 2.73 39.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.885 179.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.06 58.7 5.48 Favored Glycine 0 C--O 1.249 1.081 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.333 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -63.0 124.97 22.45 Favored 'General case' 0 C--N 1.347 0.475 0 CA-C-O 121.039 0.447 . . . . 0.0 110.806 -177.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.2 m -100.26 -28.96 12.72 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.212 0.53 . . . . 0.0 110.61 -173.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -123.66 137.74 11.08 Favored Glycine 0 N--CA 1.443 -0.849 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.68 177.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.9 m -117.66 82.15 1.78 Allowed 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 178.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.579 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 59.5 m -87.99 163.96 16.04 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.042 -177.203 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.418 ' HD3' ' C ' ' A' ' 31' ' ' ARG . 0.2 OUTLIER -100.91 128.56 46.89 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 177.672 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.405 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 18.5 t80 -113.44 152.78 29.64 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.416 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.587 ' HB2' HD21 ' A' ' 34' ' ' LEU . 70.5 m-85 -43.12 -44.08 4.8 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -176.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.587 HD21 ' HB2' ' A' ' 33' ' ' PHE . 2.1 mm? -97.36 -6.52 33.98 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -172.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.455 ' HA3' ' H ' ' A' ' 16' ' ' TYR . . . 170.34 -126.07 1.3 Allowed Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 119.829 -1.177 . . . . 0.0 113.897 179.05 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.1 m -115.27 122.8 47.06 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.697 0.284 . . . . 0.0 110.978 -172.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.579 ' HB3' ' HB2' ' A' ' 30' ' ' CYS . 38.9 t -88.07 96.98 10.72 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.205 0.526 . . . . 0.0 109.597 179.373 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 57.8 m -90.67 108.75 20.01 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.077 -176.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.8 p -120.56 113.32 33.53 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -172.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.602 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 35.7 Cg_endo -97.14 -79.83 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.17 0 C-N-CA 122.442 2.095 . . . . 0.0 111.967 163.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.447 ' HA ' ' HG2' ' A' ' 10' ' ' LYS . . . -176.56 43.08 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 -175.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.8 t70 . . . . . 0 C--O 1.247 0.939 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.503 -172.666 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.431 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 18.5 p . . . . . 0 N--CA 1.454 -0.232 0 CA-C-O 121.097 0.475 . . . . 0.0 110.574 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.68 145.89 50.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.099 -178.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 42.1 t -150.5 163.68 37.83 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.403 -177.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m -146.85 144.02 29.01 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.44 -178.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.2 t -152.29 122.66 7.24 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 176.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.33 -122.54 30.18 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.814 -0.708 . . . . 0.0 111.796 -175.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -94.86 -9.93 32.84 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.829 0.347 . . . . 0.0 110.883 177.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.6 p -95.73 138.43 33.4 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.019 0.438 . . . . 0.0 111.343 -174.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -127.82 140.24 52.16 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.315 178.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -167.24 -132.11 1.36 Allowed Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.627 -176.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.0 mm -132.3 137.96 53.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -175.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.555 ' HE2' ' HB2' ' A' ' 34' ' ' LEU . 11.0 p90 -100.64 139.18 36.69 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.081 -0.647 . . . . 0.0 110.025 177.443 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 20.4 m95 -103.6 146.41 28.6 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.729 -177.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -79.38 95.08 5.65 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.571 ' H ' ' HA3' ' A' ' 35' ' ' GLY . 84.2 m-85 58.1 76.04 0.35 Allowed 'General case' 0 C--O 1.25 1.12 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.024 178.346 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -131.51 82.83 60.48 Favored Pre-proline 0 C--N 1.343 0.305 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.677 177.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.41 -24.33 34.89 Favored 'Trans proline' 0 C--O 1.248 1.014 0 C-N-CA 123.607 2.871 . . . . 0.0 113.042 -174.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.9 t -106.9 91.09 3.52 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.481 -0.781 . . . . 0.0 108.974 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.0 t -69.23 116.32 41.1 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.101 -179.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -60.26 115.93 2.98 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.898 2.399 . . . . 0.0 112.134 -176.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.0 t -85.26 23.86 1.22 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.366 0.603 . . . . 0.0 110.377 -176.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -78.69 -25.93 44.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.9 -174.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -118.76 38.99 3.61 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.803 -0.359 . . . . 0.0 111.9 -179.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 55.22 25.41 39.84 Favored Glycine 0 C--O 1.25 1.126 0 N-CA-C 114.595 0.598 . . . . 0.0 114.595 171.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -48.21 120.86 3.84 Favored 'General case' 0 C--N 1.349 0.575 0 O-C-N 124.0 0.47 . . . . 0.0 110.332 175.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.6 m -83.65 -45.76 13.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.985 -171.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -121.19 156.16 16.28 Favored Glycine 0 N--CA 1.441 -1.006 0 C-N-CA 120.978 -0.63 . . . . 0.0 112.136 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 9.2 t -139.26 103.01 4.64 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 176.323 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 56.9 m -113.88 146.4 40.07 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.551 -176.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.16 110.14 12.88 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.501 0.667 . . . . 0.0 109.734 -178.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.568 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 43.5 t80 -93.21 158.81 15.57 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 114.893 -1.049 . . . . 0.0 108.694 179.566 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.483 ' HB2' HD21 ' A' ' 34' ' ' LEU . 53.0 m-85 -43.04 -48.16 6.02 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -176.536 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.555 ' HB2' ' HE2' ' A' ' 13' ' ' TYR . 3.0 mm? -92.82 -7.56 46.03 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 -174.002 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.571 ' HA3' ' H ' ' A' ' 16' ' ' TYR . . . 165.96 -128.98 1.85 Allowed Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 118.953 -1.594 . . . . 0.0 114.304 178.122 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.6 m -111.1 109.37 19.42 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.057 0.456 . . . . 0.0 111.043 -171.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.568 ' HB2' ' HB2' ' A' ' 32' ' ' TYR . 39.1 t -85.46 110.48 19.2 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.469 -178.126 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 82.9 m -103.55 116.13 31.81 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.051 0.453 . . . . 0.0 110.001 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.6 p -124.39 113.58 27.6 Favored Pre-proline 0 C--N 1.321 -0.669 0 N-CA-C 112.913 0.709 . . . . 0.0 112.913 -172.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -96.7 -90.33 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 122.787 2.325 . . . . 0.0 111.16 165.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -163.85 31.61 0.08 Allowed 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 175.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.5 t70 . . . . . 0 C--O 1.246 0.889 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.476 -168.339 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.411 ' HB ' HG21 ' A' ' 12' ' ' ILE . 1.1 m . . . . . 0 C--O 1.234 0.24 0 CA-C-O 121.472 0.653 . . . . 0.0 109.617 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.421 ' HA ' ' O ' ' A' ' 11' ' ' GLY . . . -66.83 138.92 57.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.884 -1.053 . . . . 0.0 112.337 -173.247 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 52.5 t -146.77 166.78 25.6 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.811 -1.086 . . . . 0.0 108.421 176.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.3 t -146.5 143.37 28.89 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.25 0.547 . . . . 0.0 111.941 -175.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 72.2 m -125.82 94.32 4.08 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.019 -0.991 . . . . 0.0 108.904 173.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.87 -104.78 1.6 Allowed Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.761 -0.733 . . . . 0.0 111.323 -176.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -103.58 -13.81 16.41 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.997 0.427 . . . . 0.0 110.012 176.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.3 m -78.69 134.86 37.08 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.665 -177.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.406 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 34.6 mtmm -131.6 142.14 49.82 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.045 -175.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.421 ' O ' ' HA ' ' A' ' 3' ' ' ALA . . . -175.43 -137.81 2.63 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.352 -0.928 . . . . 0.0 112.634 -178.723 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.411 HG21 ' HB ' ' A' ' 2' ' ' THR . 48.9 mm -123.64 134.95 64.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 -172.689 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.483 ' HE2' ' HB2' ' A' ' 34' ' ' LEU . 5.3 p90 -104.28 133.03 49.87 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 120.046 -0.662 . . . . 0.0 110.209 175.494 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.432 ' O ' ' HA3' ' A' ' 35' ' ' GLY . 65.3 m95 -93.26 164.86 13.07 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.245 -176.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -105.37 104.85 14.66 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 120.564 -0.454 . . . . 0.0 111.661 -174.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 59.57 67.51 0.88 Allowed 'General case' 0 C--O 1.25 1.119 0 CA-C-N 115.05 -0.977 . . . . 0.0 112.131 176.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 50.9 mtt180 -124.46 121.14 25.93 Favored Pre-proline 0 C--N 1.346 0.414 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.512 175.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -60.91 -13.97 30.03 Favored 'Trans proline' 0 C--O 1.252 1.187 0 C-N-CA 123.417 2.744 . . . . 0.0 113.042 -178.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 59.1 p -138.8 144.55 39.39 Favored 'General case' 0 N--CA 1.45 -0.472 0 O-C-N 123.696 0.622 . . . . 0.0 110.582 -178.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.8 t -93.97 116.17 66.1 Favored Pre-proline 0 C--N 1.322 -0.615 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 174.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -65.18 98.12 0.31 Allowed 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 122.824 2.349 . . . . 0.0 112.034 -179.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.0 p -79.08 16.88 0.84 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.217 0.532 . . . . 0.0 111.245 -176.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -78.96 -12.7 60.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.878 177.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.452 ' HB2' ' CE2' ' A' ' 26' ' ' TYR . 17.5 mmm180 -107.63 27.48 9.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.285 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.96 14.19 44.36 Favored Glycine 0 C--O 1.251 1.16 0 CA-C-O 119.662 -0.521 . . . . 0.0 114.324 173.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.571 ' CG ' ' HB3' ' A' ' 38' ' ' CYS . 31.1 m-85 -53.53 133.27 41.07 Favored 'General case' 0 C--N 1.347 0.459 0 O-C-N 123.878 0.399 . . . . 0.0 111.177 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 91.7 m -94.42 -50.6 5.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.777 -176.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -105.69 144.93 15.86 Favored Glycine 0 N--CA 1.442 -0.913 0 N-CA-C 111.608 -0.597 . . . . 0.0 111.608 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.5 p -128.19 87.96 2.68 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.524 0.678 . . . . 0.0 109.756 178.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 16.8 m -103.54 136.21 43.69 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.757 -176.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.74 114.96 18.11 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 177.647 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.432 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 2.0 t80 -102.25 158.11 16.42 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -178.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -49.43 -40.79 37.95 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 111.849 0.315 . . . . 0.0 111.849 -172.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.483 ' HB2' ' HE2' ' A' ' 13' ' ' TYR . 2.3 mm? -91.9 -13.86 30.56 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 112.392 0.515 . . . . 0.0 112.392 -176.314 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.432 ' HA3' ' O ' ' A' ' 14' ' ' TRP . . . 168.83 -133.69 2.95 Favored Glycine 0 C--O 1.225 -0.453 0 C-N-CA 119.298 -1.43 . . . . 0.0 114.146 -179.683 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.23 105.79 15.37 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.713 0.292 . . . . 0.0 111.323 -170.133 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.432 ' HB2' ' HB2' ' A' ' 32' ' ' TYR . 51.5 t -80.36 98.08 7.31 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.975 0.417 . . . . 0.0 110.177 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.571 ' HB3' ' CG ' ' A' ' 26' ' ' TYR . 73.4 m -101.34 114.84 29.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.293 -178.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.3 p -125.68 111.28 25.27 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -169.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.473 ' HD3' ' HD1' ' A' ' 26' ' ' TYR . 42.1 Cg_endo -97.27 -90.11 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 122.795 2.33 . . . . 0.0 111.217 165.515 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -157.24 32.53 0.28 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 174.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.9 t70 . . . . . 0 C--O 1.248 1.002 0 CA-C-N 115.184 -0.917 . . . . 0.0 110.544 -171.877 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.404 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 16.9 p . . . . . 0 N--CA 1.451 -0.394 0 CA-C-O 121.125 0.488 . . . . 0.0 110.642 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.85 143.7 41.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.758 -176.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.454 ' SG ' ' HB3' ' A' ' 13' ' ' TYR . 30.8 p -145.58 174.41 11.19 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.471 175.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.5 m -144.98 140.45 28.2 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.24 0.543 . . . . 0.0 111.646 -177.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 79.6 m -121.11 80.48 1.65 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.532 173.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.03 -98.25 0.62 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 121.011 -0.614 . . . . 0.0 111.888 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -94.3 -24.08 17.57 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.97 0.414 . . . . 0.0 110.527 178.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.8 m -81.3 127.1 32.36 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.517 -176.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.443 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 62.0 mttm -120.07 131.37 55.07 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -178.157 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.454 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -168.92 -141.23 3.15 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 119.566 -1.302 . . . . 0.0 113.586 -178.165 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.1 mm -128.93 136.22 60.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.573 -0.313 . . . . 0.0 110.187 -171.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.454 ' HB3' ' SG ' ' A' ' 4' ' ' CYS . 22.9 p90 -97.66 139.74 33.1 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.333 -0.547 . . . . 0.0 109.65 176.072 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 35.1 m95 -109.86 149.96 29.1 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.425 -177.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -79.46 88.94 5.02 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.104 0.478 . . . . 0.0 111.182 -176.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 63.52 64.43 0.81 Allowed 'General case' 0 C--O 1.248 1.02 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.919 176.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -100.57 118.67 60.5 Favored Pre-proline 0 C--N 1.345 0.387 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.162 174.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_exo -71.49 -1.62 10.04 Favored 'Trans proline' 0 C--O 1.248 0.982 0 C-N-CA 122.861 2.374 . . . . 0.0 111.997 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.3 t -160.16 133.62 6.94 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.221 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 89.4 m -80.0 123.98 83.27 Favored Pre-proline 0 C--N 1.321 -0.642 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 176.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -42.4 108.85 0.11 Allowed 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 123.28 2.653 . . . . 0.0 112.281 178.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.2 t -77.4 -3.46 40.35 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.792 -169.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.433 ' HB2' ' NH1' ' A' ' 24' ' ' ARG . 3.6 m-20 -79.21 -22.06 45.43 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.301 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.433 ' NH1' ' HB2' ' A' ' 23' ' ' ASP . 2.3 mpp_? -104.59 17.89 23.27 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.629 -178.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 49.68 32.92 17.82 Favored Glycine 0 C--O 1.25 1.121 0 N-CA-C 114.959 0.744 . . . . 0.0 114.959 171.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -53.45 131.21 37.73 Favored 'General case' 0 C--N 1.345 0.411 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 174.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.5 m -96.02 -46.38 6.53 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.134 0.492 . . . . 0.0 110.804 -174.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -99.95 155.89 19.64 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.633 178.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 39.9 m -144.88 76.56 1.5 Allowed 'General case' 0 C--N 1.319 -0.717 0 CA-C-O 121.566 0.698 . . . . 0.0 109.551 -179.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.7 m -92.76 140.31 29.65 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.076 -175.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.07 103.82 9.28 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 176.386 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.532 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 25.4 t80 -90.51 157.16 17.69 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.193 -0.912 . . . . 0.0 108.919 -178.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.466 ' HB2' HD21 ' A' ' 34' ' ' LEU . 58.2 m-85 -41.91 -45.38 3.72 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 123.56 0.538 . . . . 0.0 112.301 -177.013 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.466 HD21 ' HB2' ' A' ' 33' ' ' PHE . 2.1 mm? -90.24 -17.68 27.04 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -173.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 170.63 -129.13 1.74 Allowed Glycine 0 C--O 1.227 -0.339 0 C-N-CA 119.574 -1.298 . . . . 0.0 113.616 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.8 m -108.91 108.9 19.84 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.832 0.349 . . . . 0.0 110.781 -174.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.532 ' HB2' ' HB2' ' A' ' 32' ' ' TYR . 49.8 t -80.76 97.91 7.53 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.953 179.417 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 56.3 m -94.57 107.3 19.29 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.485 -178.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.454 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 7.4 p -119.29 113.55 35.25 Favored Pre-proline 0 C--N 1.322 -0.629 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -170.15 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.443 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 31.6 Cg_endo -92.41 -93.6 0.0 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.28 0 C-N-CA 122.337 2.025 . . . . 0.0 110.992 165.496 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -163.64 49.5 0.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 175.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.2 t70 . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.917 -173.911 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.475 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 16.6 p . . . . . 0 C--O 1.233 0.2 0 CA-C-O 121.379 0.609 . . . . 0.0 110.643 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.69 150.13 28.17 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.737 -175.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.408 ' SG ' ' HB3' ' A' ' 13' ' ' TYR . 25.6 p -149.52 176.99 10.13 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.026 175.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.5 m -148.47 143.84 26.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.038 0.447 . . . . 0.0 111.42 -178.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 84.9 m -121.87 93.32 3.96 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.568 175.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.61 -96.6 0.58 Allowed Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.755 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -102.59 -21.12 14.22 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.699 0.285 . . . . 0.0 110.618 178.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.0 p -83.49 145.02 29.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.82 0.343 . . . . 0.0 110.984 -173.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.542 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 28.0 mtmt -125.66 146.38 49.75 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.493 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -174.94 -149.83 7.46 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.011 -1.09 . . . . 0.0 113.037 178.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.4 mm -124.74 136.61 60.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 -173.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.52 ' CE2' ' HB2' ' A' ' 34' ' ' LEU . 20.9 p90 -99.24 141.21 32.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.317 0.579 . . . . 0.0 109.947 177.451 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.53 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 42.5 m95 -105.39 151.4 24.25 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.921 -1.036 . . . . 0.0 108.778 -178.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -79.89 93.28 5.63 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 120.923 0.392 . . . . 0.0 111.064 -175.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.515 ' H ' ' HA3' ' A' ' 35' ' ' GLY . 75.0 m-85 58.73 74.46 0.44 Allowed 'General case' 0 C--O 1.248 1.009 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.772 177.756 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.53 ' HD2' ' HB3' ' A' ' 14' ' ' TRP . 53.2 mtt180 -137.78 80.88 29.89 Favored Pre-proline 0 N--CA 1.452 -0.367 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.975 177.532 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.47 -17.68 35.36 Favored 'Trans proline' 0 C--O 1.25 1.097 0 C-N-CA 123.421 2.748 . . . . 0.0 112.742 -175.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.5 m -113.74 88.11 2.77 Favored 'General case' 0 N--CA 1.449 -0.519 0 O-C-N 124.116 0.885 . . . . 0.0 109.05 177.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.4 t -79.1 135.8 58.05 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.914 -174.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -69.55 90.24 0.5 Allowed 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 123.008 2.472 . . . . 0.0 110.954 176.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.5 t -78.7 13.0 1.81 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.784 -169.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.409 ' HB2' HH11 ' A' ' 24' ' ' ARG . 4.2 m-20 -76.35 -7.89 55.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.196 0.522 . . . . 0.0 110.446 -177.065 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.409 HH11 ' HB2' ' A' ' 23' ' ' ASP . 7.3 mpt_? -88.47 4.02 48.03 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.932 178.217 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.485 ' O ' ' HB3' ' A' ' 40' ' ' PRO . . . 85.27 26.49 36.34 Favored Glycine 0 C--O 1.248 0.987 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.973 -179.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.401 ' HD1' ' HD3' ' A' ' 40' ' ' PRO . 35.6 m-85 -65.7 131.94 47.55 Favored 'General case' 0 C--N 1.348 0.523 0 O-C-N 123.999 0.47 . . . . 0.0 110.72 -178.359 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.5 m -96.04 -50.03 5.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.827 -177.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -112.77 162.05 12.49 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.562 -178.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.7 m -143.38 82.39 1.74 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 177.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 23.4 m -93.71 158.65 15.57 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.469 -175.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -80.04 120.86 24.77 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.021 0.439 . . . . 0.0 109.843 174.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.456 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 42.0 t80 -107.49 154.28 21.6 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 176.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.461 ' HB2' HD21 ' A' ' 34' ' ' LEU . 75.9 m-85 -47.09 -46.25 22.58 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.738 0.304 . . . . 0.0 111.761 -176.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.52 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 2.4 mm? -93.23 -4.25 52.29 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -175.225 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.515 ' HA3' ' H ' ' A' ' 16' ' ' TYR . . . 165.92 -130.45 2.15 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 119.229 -1.462 . . . . 0.0 114.12 178.028 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.3 m -115.55 116.67 28.55 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 120.85 0.357 . . . . 0.0 110.521 -172.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.456 ' HB2' ' HB2' ' A' ' 32' ' ' TYR . 35.5 t -87.56 112.12 21.93 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 -176.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 60.0 m -102.92 110.89 22.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.015 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.493 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 29.3 p -118.82 112.07 36.99 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -172.674 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.542 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 20.7 Cg_endo -90.1 -95.14 0.0 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.284 0 C-N-CA 122.503 2.136 . . . . 0.0 110.748 161.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -154.6 40.91 0.46 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.33 0.586 . . . . 0.0 109.908 176.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.3 t70 . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.431 -0.795 . . . . 0.0 110.619 -173.298 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.44 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 1.2 p . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 121.128 0.489 . . . . 0.0 110.741 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -83.35 140.86 32.18 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.576 -174.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.569 ' SG ' ' HB3' ' A' ' 13' ' ' TYR . 29.4 p -142.96 163.52 32.55 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.219 175.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m -126.89 131.4 51.16 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.38 0.61 . . . . 0.0 111.862 -176.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 72.3 m -116.17 86.23 2.45 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.09 174.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.74 -104.52 0.66 Allowed Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.301 -178.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -91.04 -26.55 19.13 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.85 0.357 . . . . 0.0 110.837 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.1 p -86.68 125.99 34.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.896 0.379 . . . . 0.0 110.827 -177.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.432 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 61.6 mttm -123.84 135.69 53.91 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 -177.563 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.443 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -168.83 -145.22 4.51 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 119.83 -1.176 . . . . 0.0 113.389 -177.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.1 mm -120.82 135.18 61.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 -173.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.569 ' HB3' ' SG ' ' A' ' 4' ' ' CYS . 11.8 p90 -103.6 140.82 37.04 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.241 0.543 . . . . 0.0 110.079 177.06 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.475 ' O ' ' HA3' ' A' ' 35' ' ' GLY . 33.8 m95 -110.31 139.61 45.32 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.402 -174.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -77.16 107.66 9.7 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.902 0.382 . . . . 0.0 111.217 -170.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 53.35 39.28 29.61 Favored 'General case' 0 C--O 1.247 0.954 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.364 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -121.78 91.68 48.68 Favored Pre-proline 0 C--N 1.344 0.342 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.051 178.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -84.34 56.92 5.06 Favored 'Trans proline' 0 C--O 1.251 1.166 0 C-N-CA 122.972 2.448 . . . . 0.0 112.134 -179.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.0 m -152.77 79.69 1.21 Allowed 'General case' 0 C--N 1.345 0.404 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.138 179.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 85.8 m -72.29 116.24 47.08 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.509 -178.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.52 ' HD2' ' CE2' ' A' ' 26' ' ' TYR . 53.4 Cg_exo -54.7 122.71 12.11 Favored 'Trans proline' 0 C--O 1.24 0.614 0 C-N-CA 123.478 2.785 . . . . 0.0 113.007 177.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.5 t -79.59 -18.56 51.37 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.252 -178.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -79.3 -18.74 52.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.122 0.487 . . . . 0.0 109.93 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -80.67 -8.97 59.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.227 175.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.44 ' O ' ' HB3' ' A' ' 40' ' ' PRO . . . 79.61 21.16 67.12 Favored Glycine 0 C--O 1.248 1.013 0 CA-C-N 115.579 -0.737 . . . . 0.0 112.763 178.62 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.52 ' CE2' ' HD2' ' A' ' 21' ' ' PRO . 19.7 m-85 -63.64 127.56 31.91 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 123.778 0.34 . . . . 0.0 110.624 -179.628 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.5 m -94.39 -43.93 8.15 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.008 0.432 . . . . 0.0 110.984 -174.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -118.18 168.52 13.13 Favored Glycine 0 N--CA 1.442 -0.907 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.303 179.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.1 m -144.04 78.19 1.58 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.188 0.518 . . . . 0.0 109.65 -178.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.487 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 3.7 m -81.14 148.46 29.58 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.971 -176.109 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.411 ' HA ' ' HD2' ' A' ' 31' ' ' ARG . 4.1 tpt180 -85.62 111.46 20.09 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.021 -0.671 . . . . 0.0 110.037 174.248 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -101.19 159.08 15.55 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.57 ' HB3' HD21 ' A' ' 34' ' ' LEU . 32.8 t80 -47.1 -45.06 21.87 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -174.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.57 HD21 ' HB3' ' A' ' 33' ' ' PHE . 2.8 mm? -101.45 1.98 38.84 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -174.117 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.475 ' HA3' ' O ' ' A' ' 14' ' ' TRP . . . 165.88 -143.86 8.75 Favored Glycine 0 C--O 1.224 -0.531 0 C-N-CA 119.05 -1.547 . . . . 0.0 113.756 179.201 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.406 ' O ' ' HA ' ' A' ' 13' ' ' TYR . 6.5 m -113.16 120.77 42.4 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.793 0.33 . . . . 0.0 110.958 -174.468 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.487 ' HB2' ' HB2' ' A' ' 30' ' ' CYS . 1.3 m -79.68 95.11 5.85 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.634 177.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.446 ' HB3' ' CG ' ' A' ' 26' ' ' TYR . 58.8 m -82.62 97.27 8.41 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 176.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.443 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 2.0 p -111.5 110.18 55.61 Favored Pre-proline 0 C--N 1.322 -0.628 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 -168.724 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.44 ' HB3' ' O ' ' A' ' 25' ' ' GLY . 59.0 Cg_endo -97.97 -97.85 0.0 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.299 0 C-N-CA 122.935 2.423 . . . . 0.0 111.271 166.283 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -169.59 38.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 176.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.2 t70 . . . . . 0 C--O 1.247 0.97 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.791 -168.642 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.1 p . . . . . 0 C--O 1.232 0.147 0 CA-C-O 121.429 0.633 . . . . 0.0 110.117 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.457 ' HA ' ' O ' ' A' ' 11' ' ' GLY . . . -71.45 142.32 50.24 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.051 -0.977 . . . . 0.0 112.519 -172.044 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.605 ' SG ' ' HB3' ' A' ' 13' ' ' TYR . 28.3 p -149.33 157.84 43.67 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 173.59 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.0 t -129.51 141.41 51.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.343 0.592 . . . . 0.0 111.559 -176.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 77.3 m -116.81 90.54 3.36 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.458 175.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.44 -100.65 0.49 Allowed Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.264 -178.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -91.04 -32.75 15.78 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.889 0.376 . . . . 0.0 110.5 177.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.9 m -79.22 143.75 35.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.679 -173.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.464 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 13.3 ptmm? -136.9 140.26 42.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.697 -0.229 . . . . 0.0 110.481 -178.403 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.457 ' O ' ' HA ' ' A' ' 3' ' ' ALA . . . -169.7 -140.16 2.91 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.142 -1.028 . . . . 0.0 112.795 -178.409 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.5 mm -125.96 134.91 65.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 -173.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.605 ' HB3' ' SG ' ' A' ' 4' ' ' CYS . 3.7 p90 -96.76 133.4 41.38 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 121.436 0.636 . . . . 0.0 110.083 175.723 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.481 ' O ' ' HA3' ' A' ' 35' ' ' GLY . 13.5 m95 -101.79 143.0 32.26 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.51 -175.483 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -79.31 108.56 12.91 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 120.828 0.347 . . . . 0.0 111.522 -174.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 53.38 67.57 0.98 Allowed 'General case' 0 C--O 1.252 1.212 0 CA-C-N 115.078 -0.965 . . . . 0.0 112.699 175.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -109.98 118.46 49.75 Favored Pre-proline 0 C--N 1.343 0.292 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.235 174.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.14 -17.78 33.59 Favored 'Trans proline' 0 C--O 1.251 1.157 0 C-N-CA 123.197 2.598 . . . . 0.0 112.824 -175.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.2 t -160.49 142.13 12.42 Favored 'General case' 0 N--CA 1.449 -0.521 0 O-C-N 124.158 0.911 . . . . 0.0 109.039 178.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.1 t -80.42 116.43 61.74 Favored Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 178.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.415 ' HB2' ' OD2' ' A' ' 23' ' ' ASP . 43.2 Cg_endo -71.02 122.75 9.07 Favored 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.54 2.16 . . . . 0.0 111.387 -178.581 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.9 t -81.51 56.04 2.83 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.963 0.887 . . . . 0.0 111.58 -172.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.415 ' OD2' ' HB2' ' A' ' 21' ' ' PRO . 18.4 m-20 -85.57 -45.35 11.84 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.25 177.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.533 ' HB2' ' CZ ' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -101.16 29.93 4.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.476 . . . . 0.0 112.094 -175.09 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 48.56 33.61 12.47 Favored Glycine 0 C--O 1.25 1.156 0 CA-C-O 119.835 -0.425 . . . . 0.0 113.87 174.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.533 ' CZ ' ' HB2' ' A' ' 24' ' ' ARG . 45.7 m-85 -47.65 134.96 12.07 Favored 'General case' 0 C--N 1.345 0.372 0 O-C-N 124.518 0.775 . . . . 0.0 110.976 176.548 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.5 m -88.69 -50.63 6.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.757 -175.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -118.57 119.24 4.29 Favored Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.402 -178.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.8 m -99.25 90.91 4.73 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 175.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.405 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 56.2 m -94.73 150.23 20.42 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.001 -177.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -84.34 99.16 10.44 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 120.203 -0.599 . . . . 0.0 109.637 176.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.664 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 33.1 t80 -80.26 161.43 25.14 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 177.526 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -48.82 -38.68 22.9 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -171.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -113.97 10.33 17.56 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -175.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.481 ' HA3' ' O ' ' A' ' 14' ' ' TRP . . . 165.07 -146.26 11.06 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 118.563 -1.78 . . . . 0.0 114.552 178.166 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.3 m -104.07 108.13 19.35 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 120.968 0.413 . . . . 0.0 111.435 -170.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.664 ' HB2' ' HB2' ' A' ' 32' ' ' TYR . 51.5 t -79.86 94.31 5.8 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.777 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.477 ' HB3' ' CG ' ' A' ' 26' ' ' TYR . 72.5 m -91.57 103.06 15.71 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.104 -178.247 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.415 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 71.2 p -116.86 109.24 43.33 Favored Pre-proline 0 C--N 1.329 -0.313 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -171.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.464 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 16.9 Cg_endo -93.13 -77.49 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.139 0 C-N-CA 122.438 2.092 . . . . 0.0 111.587 165.26 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.456 ' HA ' ' HG2' ' A' ' 10' ' ' LYS . . . -177.89 33.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 -178.423 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.4 t70 . . . . . 0 C--O 1.247 0.957 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.424 -172.46 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.518 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 5.0 p . . . . . 0 C--O 1.236 0.346 0 CA-C-O 121.429 0.633 . . . . 0.0 110.805 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.96 141.35 57.64 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.397 -177.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 18.6 t -145.53 150.18 35.96 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.718 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.7 m -129.58 138.69 51.43 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.45 0.643 . . . . 0.0 111.698 -177.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 82.6 m -119.25 75.05 1.02 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.844 -1.071 . . . . 0.0 108.569 172.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.62 -101.09 0.36 Allowed Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.246 -177.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -79.61 -37.45 36.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.914 0.388 . . . . 0.0 110.344 178.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.0 t -79.69 137.61 37.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.88 -172.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.453 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 59.8 mttp -137.26 141.08 42.0 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.511 -0.181 . . . . 0.0 110.511 -176.152 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.445 ' HA2' ' HB3' ' A' ' 42' ' ' ASP . . . -178.14 -139.89 3.62 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.627 -0.797 . . . . 0.0 113.089 -177.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.3 mm -127.1 136.1 61.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.699 0.285 . . . . 0.0 110.629 -171.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.518 ' CE1' ' HB ' ' A' ' 2' ' ' THR . 18.5 p90 -100.74 142.55 32.05 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.092 -0.643 . . . . 0.0 109.979 176.115 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.446 ' O ' ' HA3' ' A' ' 35' ' ' GLY . 74.8 m95 -108.78 138.13 45.61 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.935 -175.384 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -77.09 118.38 19.58 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.132 0.491 . . . . 0.0 111.74 -173.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 52.11 31.53 9.07 Favored 'General case' 0 C--O 1.25 1.121 0 CA-C-N 114.715 -1.13 . . . . 0.0 113.84 173.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 74.2 mtt180 -96.79 100.64 7.65 Favored Pre-proline 0 C--N 1.341 0.235 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 167.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -65.09 -10.46 25.72 Favored 'Trans proline' 0 C--O 1.25 1.08 0 C-N-CA 122.732 2.288 . . . . 0.0 112.437 -176.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.2 t -117.16 115.1 24.68 Favored 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 124.087 0.867 . . . . 0.0 109.631 179.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.1 t -71.18 125.52 91.93 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-O 120.747 0.308 . . . . 0.0 110.571 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_exo -71.84 67.5 3.12 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.863 2.375 . . . . 0.0 111.441 176.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.6 t -76.99 8.28 3.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.812 0.815 . . . . 0.0 110.702 -175.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -78.38 -17.51 56.36 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.116 -0.947 . . . . 0.0 109.175 173.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.4 mtp180 -94.33 30.26 2.0 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.259 -178.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.63 -9.79 64.06 Favored Glycine 0 C--O 1.25 1.132 0 C-N-CA 120.998 -0.62 . . . . 0.0 114.04 172.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.458 ' HD1' ' HD3' ' A' ' 40' ' ' PRO . 30.5 m-85 -57.28 130.77 47.7 Favored 'General case' 0 C--N 1.346 0.437 0 O-C-N 123.743 0.319 . . . . 0.0 110.291 178.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.535 HG23 ' HA ' ' A' ' 40' ' ' PRO . 15.2 t -101.88 -33.81 9.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.14 0.495 . . . . 0.0 110.696 -174.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -110.55 150.4 17.66 Favored Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 111.69 -0.564 . . . . 0.0 111.69 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.4 m -134.95 82.73 1.98 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.335 0.588 . . . . 0.0 110.338 -177.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 11.3 m -92.26 164.83 13.39 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 -100.35 127.79 46.57 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 119.602 -0.839 . . . . 0.0 110.356 172.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -96.06 154.58 17.16 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 172.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.606 ' HB3' HD21 ' A' ' 34' ' ' LEU . 38.6 t80 -52.16 -30.63 27.69 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 118.627 0.649 . . . . 0.0 111.927 -174.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.606 HD21 ' HB3' ' A' ' 33' ' ' PHE . 2.6 mm? -108.11 0.48 21.66 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 112.481 0.548 . . . . 0.0 112.481 -173.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.446 ' HA3' ' O ' ' A' ' 14' ' ' TRP . . . 172.56 -156.3 24.85 Favored Glycine 0 C--O 1.224 -0.52 0 C-N-CA 119.621 -1.276 . . . . 0.0 113.117 178.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 73.8 m -100.04 122.83 43.52 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.228 0.537 . . . . 0.0 110.836 -178.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 44.7 t -87.37 99.95 12.37 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.089 -178.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.405 ' HB3' ' CG ' ' A' ' 26' ' ' TYR . 72.7 m -96.95 110.28 22.84 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.041 -178.61 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.437 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 21.6 p -121.14 120.87 28.96 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.371 -171.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.535 ' HA ' HG23 ' A' ' 27' ' ' THR . 54.0 Cg_endo -99.11 -94.55 0.0 OUTLIER 'Trans proline' 0 N--CA 1.443 -1.468 0 C-N-CA 122.894 2.396 . . . . 0.0 110.919 163.268 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -151.4 48.46 0.82 Allowed 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 173.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.445 ' HB3' ' HA2' ' A' ' 11' ' ' GLY . 17.0 t70 . . . . . 0 C--O 1.246 0.906 0 CA-C-O 118.443 -0.789 . . . . 0.0 110.178 -173.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.552 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 6.6 p . . . . . 0 C--O 1.236 0.385 0 CA-C-O 121.565 0.698 . . . . 0.0 109.842 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.11 132.06 45.98 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 114.829 -1.078 . . . . 0.0 112.996 -167.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 43.4 t -138.64 153.75 48.62 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 114.823 -1.081 . . . . 0.0 108.959 171.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 m -142.88 134.83 27.0 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.03 0.443 . . . . 0.0 111.107 -178.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 61.7 m -129.43 81.94 2.05 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.364 177.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.64 -105.46 1.24 Allowed Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.555 178.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -87.97 -15.13 37.36 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.193 0.52 . . . . 0.0 110.345 -177.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.1 m -100.93 138.88 37.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.044 -177.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.494 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -124.48 147.04 48.61 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 178.14 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.481 ' HA2' ' O ' ' A' ' 42' ' ' ASP . . . -173.79 -150.63 7.69 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 119.44 -1.362 . . . . 0.0 114.169 -178.132 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 47.7 mm -123.82 138.41 53.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 114.921 -0.64 . . . . 0.0 110.292 -169.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.552 ' CE1' ' HB ' ' A' ' 2' ' ' THR . 12.2 p90 -104.89 140.54 37.99 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.444 177.286 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 26.7 m95 -102.24 139.76 37.42 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.827 -177.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -78.61 112.23 15.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.656 -172.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 51.7 p90 43.11 25.69 0.06 Allowed 'General case' 0 C--O 1.247 0.964 0 C-N-CA 124.879 1.272 . . . . 0.0 113.784 178.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.0 mtp85 -100.53 116.11 64.65 Favored Pre-proline 0 N--CA 1.45 -0.462 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.075 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -83.49 34.51 0.54 Allowed 'Trans proline' 0 C--O 1.25 1.076 0 C-N-CA 123.352 2.701 . . . . 0.0 111.269 174.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.4 p -136.33 97.16 3.52 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.428 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.6 t -106.51 108.48 61.91 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.541 178.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_endo -80.63 146.43 16.9 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 122.583 2.188 . . . . 0.0 113.012 -175.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.8 t -79.31 53.52 1.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 122.393 1.092 . . . . 0.0 109.456 177.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -102.03 -44.47 5.46 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.047 -0.979 . . . . 0.0 111.511 -176.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.437 ' HB2' ' CZ ' ' A' ' 26' ' ' TYR . 22.8 mmm180 -95.8 28.47 3.06 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.469 -173.566 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 55.18 25.2 38.82 Favored Glycine 0 C--O 1.248 1.0 0 C-N-CA 121.104 -0.569 . . . . 0.0 113.128 177.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.437 ' CZ ' ' HB2' ' A' ' 24' ' ' ARG . 34.7 m-85 -48.47 127.76 13.69 Favored 'General case' 0 C--N 1.348 0.501 0 O-C-N 124.49 0.759 . . . . 0.0 111.129 177.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.9 t -108.73 -20.14 13.18 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.002 0.429 . . . . 0.0 110.551 -177.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -139.96 168.09 25.17 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.961 -0.638 . . . . 0.0 111.923 179.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.0 t -142.22 137.31 30.67 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.068 0.461 . . . . 0.0 110.046 179.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 60.6 m -136.92 177.44 7.85 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.74 -178.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -102.57 133.79 46.97 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 176.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -119.48 154.54 33.61 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 177.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.57 ' HB2' HD22 ' A' ' 34' ' ' LEU . 40.4 m-85 -45.04 -44.15 9.92 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -175.032 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.57 HD22 ' HB2' ' A' ' 33' ' ' PHE . 2.6 mm? -94.65 -10.38 32.02 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 -173.591 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.43 -133.97 3.06 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 119.176 -1.488 . . . . 0.0 113.714 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 17.7 m -95.48 136.54 35.73 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.616 0.246 . . . . 0.0 110.629 -171.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 18.1 t -106.44 129.25 54.45 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 120.832 0.349 . . . . 0.0 110.094 176.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 81.5 m -124.18 118.29 26.53 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.473 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 3.2 p -121.51 116.55 30.62 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 113.08 0.771 . . . . 0.0 113.08 -172.053 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.494 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 72.7 Cg_endo -98.79 -102.0 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 123.309 2.673 . . . . 0.0 110.852 162.682 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -135.58 5.46 3.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.237 0.541 . . . . 0.0 110.331 172.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.481 ' O ' ' HA2' ' A' ' 11' ' ' GLY . 11.3 m-20 . . . . . 0 C--O 1.243 0.721 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.248 -174.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.1 p . . . . . 0 N--CA 1.455 -0.207 0 CA-C-O 121.33 0.586 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -89.26 143.96 26.45 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.653 -177.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.6 p -138.96 152.89 48.06 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.635 178.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m -118.5 135.62 54.28 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.998 0.428 . . . . 0.0 110.949 -177.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 95.4 m -129.68 79.95 1.93 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.037 177.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.53 -105.45 1.6 Allowed Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.477 177.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -93.79 -10.36 34.44 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.839 0.352 . . . . 0.0 110.728 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.9 m -105.79 125.05 50.53 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.568 -175.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.565 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 37.6 tttm -114.84 138.77 50.38 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 176.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.443 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -165.59 -147.56 5.2 Favored Glycine 0 N--CA 1.442 -0.903 0 C-N-CA 120.304 -0.95 . . . . 0.0 112.773 -179.237 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.6 mm -129.15 136.87 58.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 -171.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.567 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 9.7 p90 -91.82 135.34 33.99 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 120.041 -0.664 . . . . 0.0 109.235 175.338 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.592 ' HB3' ' HG3' ' A' ' 17' ' ' ARG . 38.7 m95 -110.77 142.74 42.33 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.395 -0.821 . . . . 0.0 109.866 -176.2 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -79.46 112.89 17.15 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.87 -178.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 57.85 61.52 2.37 Favored 'General case' 0 C--O 1.249 1.049 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.71 173.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.592 ' HG3' ' HB3' ' A' ' 14' ' ' TRP . 16.9 mmt180 -121.3 109.98 34.62 Favored Pre-proline 0 C--N 1.347 0.493 0 O-C-N 123.272 0.358 . . . . 0.0 110.426 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -71.18 -1.87 10.26 Favored 'Trans proline' 0 C--O 1.25 1.124 0 C-N-CA 123.177 2.585 . . . . 0.0 113.097 -176.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.2 m -154.32 141.1 19.09 Favored 'General case' 0 C--N 1.342 0.279 0 O-C-N 123.627 0.58 . . . . 0.0 110.301 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 98.9 m -89.8 127.17 55.15 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.302 178.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -47.11 109.88 0.25 Allowed 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 123.181 2.587 . . . . 0.0 112.426 177.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.7 t -79.23 -9.13 59.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.773 -174.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.6 p-10 -79.98 -25.1 40.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.807 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 44.7 mtp85 -92.29 -1.89 56.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.199 0.523 . . . . 0.0 109.776 172.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.461 ' O ' ' HB3' ' A' ' 40' ' ' PRO . . . 73.18 27.14 68.89 Favored Glycine 0 C--O 1.247 0.938 0 CA-C-N 115.415 -0.811 . . . . 0.0 113.89 174.079 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.567 ' HD1' ' HD3' ' A' ' 40' ' ' PRO . 64.3 m-85 -56.94 120.55 8.15 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 177.565 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.9 m -96.06 -40.89 9.01 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.013 0.435 . . . . 0.0 111.22 -170.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -109.99 159.66 13.81 Favored Glycine 0 N--CA 1.443 -0.85 0 C-N-CA 121.036 -0.602 . . . . 0.0 112.245 -176.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.6 m -135.88 92.41 2.81 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.128 0.489 . . . . 0.0 109.896 178.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.448 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 36.4 m -92.33 138.06 31.84 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 178.488 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.79 96.65 6.35 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.372 0.606 . . . . 0.0 109.837 -178.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.52 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 33.9 t80 -84.4 150.53 25.27 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.167 -178.612 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.474 ' HB3' HD21 ' A' ' 34' ' ' LEU . 33.5 t80 -47.51 -43.06 24.37 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.774 0.321 . . . . 0.0 111.636 -174.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.474 HD21 ' HB3' ' A' ' 33' ' ' PHE . 2.4 mm? -95.56 -7.23 38.47 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 -174.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 167.3 -148.28 12.9 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 119.13 -1.51 . . . . 0.0 114.031 178.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.1 m -95.34 107.68 19.82 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.337 -0.431 . . . . 0.0 110.929 -173.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.567 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 27.5 t -79.89 95.98 6.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.192 0.52 . . . . 0.0 109.898 178.275 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.406 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 63.7 m -91.41 114.95 27.61 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.765 -178.181 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.443 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 2.2 p -121.65 114.29 31.46 Favored Pre-proline 0 C--N 1.322 -0.592 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -172.32 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.567 ' HD3' ' HD1' ' A' ' 26' ' ' TYR . 74.2 Cg_endo -102.87 -100.84 0.0 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.28 0 C-N-CA 123.293 2.662 . . . . 0.0 111.423 164.439 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -147.35 38.78 0.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 175.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 33.0 t70 . . . . . 0 C--O 1.245 0.829 0 CA-C-N 114.356 -1.293 . . . . 0.0 110.056 -170.533 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.456 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 24.8 p . . . . . 0 C--O 1.235 0.326 0 CA-C-O 121.505 0.669 . . . . 0.0 110.732 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.43 116.79 19.87 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.076 -0.966 . . . . 0.0 111.137 -177.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.401 ' SG ' ' HB3' ' A' ' 13' ' ' TYR . 6.1 p -117.52 167.73 11.03 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.933 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 p -138.49 127.4 23.84 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.277 0.561 . . . . 0.0 112.205 -177.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 72.4 m -106.77 90.88 3.45 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 172.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.97 -102.63 1.09 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.708 -0.758 . . . . 0.0 111.724 -177.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -107.68 -0.88 21.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.862 0.363 . . . . 0.0 110.48 178.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.9 m -93.24 122.91 36.11 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.195 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.42 126.86 54.75 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.573 ' CA ' ' HD2' ' A' ' 40' ' ' PRO . . . -152.13 -155.81 7.21 Favored Glycine 0 N--CA 1.443 -0.862 0 C-N-CA 120.308 -0.948 . . . . 0.0 113.22 -176.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.7 mm -125.38 132.6 70.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -172.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.484 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 19.5 p90 -102.6 140.28 37.09 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 119.966 -0.694 . . . . 0.0 110.846 178.093 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.483 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 57.3 m95 -104.64 142.15 35.17 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.616 -177.484 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -78.62 124.74 28.49 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -170.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 45.1 p90 45.38 25.42 0.22 Allowed 'General case' 0 C--O 1.25 1.115 0 C-N-CA 125.321 1.448 . . . . 0.0 114.271 177.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.483 ' HD2' ' HB3' ' A' ' 14' ' ' TRP . 55.5 mtt180 -89.58 117.1 67.86 Favored Pre-proline 0 C--N 1.342 0.246 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 175.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -82.69 27.02 0.62 Allowed 'Trans proline' 0 C--O 1.25 1.124 0 C-N-CA 122.978 2.452 . . . . 0.0 112.754 -176.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.6 t -159.01 153.98 25.03 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 178.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.6 t -108.38 115.64 57.72 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-O 120.705 0.288 . . . . 0.0 110.228 -178.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -77.87 81.14 2.77 Favored 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 122.839 2.359 . . . . 0.0 110.836 178.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.0 t -97.28 86.01 3.81 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 122.321 1.057 . . . . 0.0 112.506 -173.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -116.26 0.83 12.99 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 164.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -95.61 -11.74 26.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.315 -1.311 . . . . 0.0 110.629 -176.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.95 52.74 1.88 Allowed Glycine 0 C--O 1.247 0.96 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.758 -177.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.576 ' CG ' ' HB3' ' A' ' 38' ' ' CYS . 30.6 m-85 -88.3 115.73 26.0 Favored 'General case' 0 C--N 1.343 0.292 0 O-C-N 123.822 0.366 . . . . 0.0 110.136 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.3 m -82.0 -46.0 14.57 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.111 0.481 . . . . 0.0 110.258 -176.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -112.39 160.69 13.02 Favored Glycine 0 N--CA 1.442 -0.902 0 C-N-CA 120.653 -0.785 . . . . 0.0 112.147 -179.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.0 m -144.61 81.53 1.66 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.47 0.652 . . . . 0.0 110.024 176.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.441 ' O ' ' HB3' ' A' ' 37' ' ' CYS . 2.0 m -97.07 142.6 28.81 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 -177.61 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -79.73 120.87 24.62 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 118.708 -1.197 . . . . 0.0 110.805 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.426 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 15.7 t80 -90.69 164.25 14.21 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.848 -1.069 . . . . 0.0 108.214 175.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -44.88 -38.79 4.86 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -174.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -114.48 11.87 17.25 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.932 0.715 . . . . 0.0 112.932 -173.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.458 ' HA3' ' O ' ' A' ' 14' ' ' TRP . . . 164.25 -163.23 35.92 Favored Glycine 0 C--O 1.223 -0.555 0 C-N-CA 119.194 -1.479 . . . . 0.0 113.329 178.273 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 63.8 m -95.21 117.8 30.88 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.076 0.465 . . . . 0.0 110.808 -176.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.484 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 32.4 t -87.15 105.97 17.56 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.721 -178.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.576 ' HB3' ' CG ' ' A' ' 26' ' ' TYR . 80.2 m -90.48 111.41 22.67 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.112 177.478 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.494 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 0.5 OUTLIER -110.0 113.94 56.61 Favored Pre-proline 0 N--CA 1.447 -0.619 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 -171.779 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.573 ' HD2' ' CA ' ' A' ' 11' ' ' GLY . 90.0 Cg_endo -90.71 -150.86 0.04 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.282 0 C-N-CA 122.995 2.463 . . . . 0.0 109.297 159.071 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -130.41 70.39 1.45 Allowed 'General case' 0 C--N 1.313 -0.992 0 CA-C-O 120.769 0.318 . . . . 0.0 110.42 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 35.9 t70 . . . . . 0 C--O 1.247 0.959 0 CA-C-O 118.706 -0.664 . . . . 0.0 110.3 178.029 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.46 ' HB ' ' CE2' ' A' ' 13' ' ' TYR . 30.3 p . . . . . 0 C--O 1.233 0.194 0 CA-C-O 121.457 0.646 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -80.99 130.23 34.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.639 -174.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 14.1 p -129.21 154.36 46.85 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.578 176.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 p -137.12 126.22 24.48 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.42 0.629 . . . . 0.0 112.199 -177.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 58.8 m -111.47 96.63 6.22 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.113 -0.949 . . . . 0.0 108.878 174.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.66 -113.75 5.24 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.609 -177.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.3 p-10 -95.51 -10.8 28.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.005 0.431 . . . . 0.0 110.168 177.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.3 m -88.87 110.07 20.75 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.884 -176.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.519 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 17.3 ptpt -122.1 129.41 52.34 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.984 0.421 . . . . 0.0 111.126 -177.028 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -157.48 -140.02 2.84 Favored Glycine 0 N--CA 1.441 -0.974 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.304 -177.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.2 mm -127.78 136.79 59.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 -173.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.528 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 7.0 p90 -96.52 132.05 42.51 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 119.771 -0.772 . . . . 0.0 109.459 173.388 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.65 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 46.5 m95 -107.24 145.48 32.62 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.274 -175.627 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -77.75 108.51 11.02 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.785 0.326 . . . . 0.0 111.123 -173.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 51.99 60.24 3.98 Favored 'General case' 0 C--O 1.246 0.918 0 CA-C-N 115.085 -0.961 . . . . 0.0 112.012 175.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.65 ' HD2' ' HB3' ' A' ' 14' ' ' TRP . 65.4 mtt85 -130.75 89.1 44.32 Favored Pre-proline 0 C--N 1.343 0.304 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.186 -178.42 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_exo -72.26 3.08 4.35 Favored 'Trans proline' 0 C--O 1.248 1.02 0 C-N-CA 123.071 2.514 . . . . 0.0 111.606 176.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.7 m -107.2 81.95 1.61 Allowed 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.279 173.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.6 t -78.66 117.04 64.22 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.445 -179.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo -64.47 124.37 13.2 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 123.008 2.472 . . . . 0.0 112.762 -174.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.57 25.39 0.33 Allowed 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.678 0.752 . . . . 0.0 111.097 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -94.61 -26.15 16.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.91 -177.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.472 ' HB2' ' CE2' ' A' ' 26' ' ' TYR . 22.5 mmm180 -99.79 17.09 21.6 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.009 -0.541 . . . . 0.0 112.209 -170.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 56.08 23.87 41.09 Favored Glycine 0 C--O 1.251 1.175 0 C-N-CA 121.243 -0.503 . . . . 0.0 113.613 175.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.472 ' CE2' ' HB2' ' A' ' 24' ' ' ARG . 43.0 m-85 -47.99 127.17 11.83 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 124.273 0.631 . . . . 0.0 111.416 179.648 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.45 ' H ' ' HA ' ' A' ' 40' ' ' PRO . 27.2 m -88.83 -37.73 15.15 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.383 -177.322 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -139.92 174.79 22.22 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.057 178.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.2 t -141.74 111.41 6.59 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.344 0.592 . . . . 0.0 109.773 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 56.5 m -105.25 144.57 31.86 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.55 -178.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -80.54 114.75 19.66 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.056 -0.657 . . . . 0.0 110.295 176.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -98.87 150.46 21.87 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 174.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -59.61 -15.06 16.21 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -173.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -111.69 -9.25 14.14 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.42 ' HA3' ' O ' ' A' ' 14' ' ' TRP . . . 166.11 -145.91 10.5 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 119.593 -1.289 . . . . 0.0 113.941 179.094 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.8 m -100.13 109.75 22.03 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.742 0.306 . . . . 0.0 110.95 -172.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.528 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 19.9 t -84.1 90.81 7.53 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.267 0.556 . . . . 0.0 109.844 178.614 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.43 ' HB3' ' CG ' ' A' ' 26' ' ' TYR . 97.2 m -87.33 115.74 24.95 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.641 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.5 p -123.01 112.59 30.24 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 112.864 0.69 . . . . 0.0 112.864 -170.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.519 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 31.5 Cg_endo -94.75 -83.51 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 122.736 2.291 . . . . 0.0 111.874 165.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.419 ' HA ' ' HG2' ' A' ' 10' ' ' LYS . . . 169.34 35.71 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 124.268 1.027 . . . . 0.0 108.519 -176.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.7 t70 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.58 -0.724 . . . . 0.0 110.419 -169.516 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.562 ' HB ' ' CE2' ' A' ' 13' ' ' TYR . 14.7 p . . . . . 0 N--CA 1.451 -0.423 0 CA-C-O 121.344 0.593 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.93 141.64 58.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.614 -175.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 41.3 t -147.0 157.31 43.58 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.383 -179.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 p -142.09 136.21 29.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.83 0.348 . . . . 0.0 111.556 -174.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 92.3 m -137.16 96.68 3.33 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.313 176.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.2 -112.02 3.73 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.877 -0.678 . . . . 0.0 111.834 178.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.8 p-10 -94.69 -13.07 26.14 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.18 0.514 . . . . 0.0 109.862 176.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.9 m -84.88 134.36 34.28 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.612 -173.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.536 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 19.7 ptpt -127.27 130.62 49.91 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.686 178.424 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.432 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -164.86 -141.52 3.15 Favored Glycine 0 N--CA 1.443 -0.851 0 C-N-CA 119.652 -1.261 . . . . 0.0 113.299 -176.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.4 mm -129.73 139.16 52.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -172.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.597 ' HE1' ' HB2' ' A' ' 34' ' ' LEU . 13.1 p90 -99.0 135.04 40.97 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 119.904 -0.718 . . . . 0.0 109.678 175.561 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 11.6 m95 -100.38 148.93 24.17 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.091 -0.959 . . . . 0.0 108.822 -176.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -79.3 84.33 5.24 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.271 0.557 . . . . 0.0 111.388 -174.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.615 ' H ' ' HA3' ' A' ' 35' ' ' GLY . 58.2 m-85 56.83 81.32 0.14 Allowed 'General case' 0 C--O 1.248 1.012 0 CA-C-N 114.714 -1.13 . . . . 0.0 111.887 178.39 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.3 mtp180 -144.83 93.76 5.56 Favored Pre-proline 0 N--CA 1.451 -0.391 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.232 179.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -61.84 -12.82 27.36 Favored 'Trans proline' 0 C--O 1.251 1.169 0 C-N-CA 122.417 2.078 . . . . 0.0 111.461 174.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.6 m -99.96 65.99 1.33 Allowed 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 114.781 -1.099 . . . . 0.0 109.39 178.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.9 t -92.51 117.2 67.52 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.643 -179.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -64.79 105.12 0.61 Allowed 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 123.127 2.551 . . . . 0.0 112.112 -174.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.2 p -77.96 8.98 3.98 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -173.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -76.67 -4.78 44.96 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.33 -176.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -90.37 2.57 55.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.095 173.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.67 41.59 23.77 Favored Glycine 0 C--O 1.247 0.948 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.349 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -68.57 121.47 16.48 Favored 'General case' 0 C--N 1.346 0.442 0 O-C-N 124.039 0.494 . . . . 0.0 110.859 -177.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 85.0 m -93.13 -45.2 7.99 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.91 -177.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -112.31 137.61 14.38 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.392 -177.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.6 t -124.79 106.66 10.21 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 177.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 20.6 m -120.29 168.53 11.16 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.044 -178.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.5 ttt180 -96.75 132.82 42.06 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 119.707 -0.797 . . . . 0.0 109.456 169.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -106.27 160.49 15.32 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 171.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.547 ' HB3' HD21 ' A' ' 34' ' ' LEU . 48.1 t80 -51.11 -32.4 22.54 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 118.113 0.415 . . . . 0.0 111.768 -176.251 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.597 ' HB2' ' HE1' ' A' ' 13' ' ' TYR . 2.3 mm? -106.32 1.99 26.29 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -174.589 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.615 ' HA3' ' H ' ' A' ' 16' ' ' TYR . . . 162.02 -138.42 5.39 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 118.969 -1.586 . . . . 0.0 114.805 175.609 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 47.6 m -104.31 114.86 29.38 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 122.838 0.455 . . . . 0.0 110.893 -172.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 43.3 t -83.73 106.96 15.85 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.609 -178.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 74.7 m -103.97 109.68 21.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.092 0.472 . . . . 0.0 109.814 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.432 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 21.6 p -120.19 112.42 34.63 Favored Pre-proline 0 C--N 1.322 -0.604 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -173.225 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.536 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 36.7 Cg_endo -91.8 -87.4 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 122.395 2.063 . . . . 0.0 111.715 168.058 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -179.4 34.81 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 -176.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.1 t70 . . . . . 0 C--O 1.252 1.202 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.235 -173.931 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.545 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 7.7 p . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 121.368 0.604 . . . . 0.0 110.636 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' A' ' 11' ' ' GLY . . . -77.9 141.7 38.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.852 -173.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.479 ' SG ' ' HB3' ' A' ' 13' ' ' TYR . 26.8 p -140.57 166.19 25.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.498 177.147 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.3 m -130.07 140.12 50.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.005 0.431 . . . . 0.0 111.916 -176.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 86.6 m -123.07 79.48 1.67 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.59 173.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.5 -94.48 0.23 Allowed Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.685 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -95.4 -27.6 15.35 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.951 0.405 . . . . 0.0 110.536 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.9 m -84.28 141.04 31.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.387 -177.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.457 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 50.3 mtmt -136.49 134.08 37.23 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -179.424 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.502 ' HA3' ' HD2' ' A' ' 40' ' ' PRO . . . -167.86 -136.67 2.09 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.487 -0.864 . . . . 0.0 113.004 -178.197 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.8 mm -128.25 137.52 57.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 122.439 0.296 . . . . 0.0 110.331 -171.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.604 ' HE2' ' HB2' ' A' ' 34' ' ' LEU . 8.4 p90 -99.91 138.6 36.76 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.314 0.578 . . . . 0.0 110.055 176.418 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.425 ' O ' ' HA3' ' A' ' 35' ' ' GLY . 33.6 m95 -102.27 156.46 17.56 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.821 -178.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -90.31 111.82 23.16 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.811 -179.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 49.35 80.27 0.07 Allowed 'General case' 0 C--O 1.253 1.248 0 O-C-N 124.208 0.942 . . . . 0.0 113.131 176.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -126.1 113.26 24.03 Favored Pre-proline 0 C--N 1.345 0.37 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.595 177.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -60.14 -12.57 20.01 Favored 'Trans proline' 0 C--O 1.251 1.137 0 C-N-CA 123.238 2.625 . . . . 0.0 112.861 -177.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.6 p -148.67 149.63 31.82 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.548 177.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.7 t -82.96 115.49 59.07 Favored Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 178.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -64.91 131.61 29.57 Favored 'Trans proline' 0 N--CA 1.464 -0.237 0 C-N-CA 122.784 2.323 . . . . 0.0 112.014 -177.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.9 m -79.29 55.72 1.94 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.301 0.572 . . . . 0.0 110.368 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -86.22 -67.48 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.782 -176.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.2 mtt180 -88.21 21.2 2.89 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.262 179.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 55.73 29.8 55.18 Favored Glycine 0 C--O 1.248 0.986 0 C-N-CA 120.414 -0.898 . . . . 0.0 111.9 -177.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.665 ' HD1' ' HD3' ' A' ' 40' ' ' PRO . 57.6 m-85 -38.33 138.9 0.42 Allowed 'General case' 0 C--N 1.348 0.54 0 O-C-N 125.024 1.073 . . . . 0.0 111.996 176.649 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.1 m -97.53 -49.29 4.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.967 -177.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.92 140.84 15.26 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 121.009 -0.615 . . . . 0.0 111.872 179.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.5 m -126.12 92.55 3.6 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.927 0.394 . . . . 0.0 110.48 178.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.0 m -106.04 163.44 12.76 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.4 ttt180 -96.03 134.54 38.94 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.516 -0.874 . . . . 0.0 109.748 171.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.532 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 13.2 t80 -107.51 164.1 12.5 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 173.684 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.469 ' HB2' HD21 ' A' ' 34' ' ' LEU . 97.6 m-85 -50.27 -35.79 28.67 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -175.594 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.604 ' HB2' ' HE2' ' A' ' 13' ' ' TYR . 2.4 mm? -100.47 -4.8 28.09 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -173.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.425 ' HA3' ' O ' ' A' ' 14' ' ' TRP . . . 163.96 -130.69 2.26 Favored Glycine 0 C--O 1.223 -0.584 0 C-N-CA 119.246 -1.454 . . . . 0.0 113.622 179.363 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.3 m -111.01 112.42 24.22 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.797 0.332 . . . . 0.0 111.32 -170.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.532 ' HB2' ' HB2' ' A' ' 32' ' ' TYR . 37.9 t -84.89 98.35 10.28 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.19 0.519 . . . . 0.0 109.891 -179.667 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.539 ' HB3' ' CG ' ' A' ' 26' ' ' TYR . 84.5 m -97.53 114.93 26.92 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.778 -178.69 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.439 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 20.5 p -120.3 116.07 32.5 Favored Pre-proline 0 C--N 1.319 -0.76 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -170.316 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.665 ' HD3' ' HD1' ' A' ' 26' ' ' TYR . 53.6 Cg_endo -84.25 -98.33 0.0 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.065 0 C-N-CA 121.845 1.697 . . . . 0.0 110.82 165.476 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -158.26 29.73 0.25 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.322 -0.236 . . . . 0.0 111.209 177.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.8 t70 . . . . . 0 C--O 1.246 0.889 0 CA-C-O 118.043 -0.979 . . . . 0.0 110.909 -175.48 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.3 p . . . . . 0 C--O 1.236 0.383 0 CA-C-O 121.344 0.592 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.515 ' HA ' ' O ' ' A' ' 11' ' ' GLY . . . -84.19 129.72 34.88 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.575 -174.868 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 14.1 p -120.34 143.9 48.14 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.138 174.703 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.4 m -119.5 127.79 53.36 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.418 0.628 . . . . 0.0 111.665 -176.226 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 62.6 m -116.31 80.12 1.41 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.092 -0.958 . . . . 0.0 108.977 175.808 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.75 -101.07 0.67 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.727 -176.897 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -91.07 -25.09 19.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.148 0.499 . . . . 0.0 110.282 178.237 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.7 m -78.77 134.41 37.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.412 -174.471 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -132.73 125.62 30.61 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 -178.547 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.559 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -158.22 -149.0 5.34 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 119.56 -1.305 . . . . 0.0 113.53 -177.477 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.0 mm -122.24 130.68 74.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.769 -0.216 . . . . 0.0 110.49 -172.106 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.486 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 8.7 p90 -95.97 139.57 31.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.351 0.596 . . . . 0.0 109.876 177.403 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.478 ' O ' ' HA3' ' A' ' 35' ' ' GLY . 28.7 m95 -107.62 149.2 28.35 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.179 -0.918 . . . . 0.0 108.831 -179.061 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -78.74 92.56 4.81 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.265 0.555 . . . . 0.0 111.473 -174.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.614 ' H ' ' HA3' ' A' ' 35' ' ' GLY . 61.6 m-85 58.52 73.75 0.46 Allowed 'General case' 0 C--O 1.251 1.17 0 CA-C-N 114.85 -1.068 . . . . 0.0 111.918 175.87 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -113.84 108.42 51.26 Favored Pre-proline 0 C--N 1.344 0.368 0 CA-C-N 114.803 -1.089 . . . . 0.0 110.434 178.268 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -64.17 -11.32 27.13 Favored 'Trans proline' 0 C--O 1.248 0.99 0 C-N-CA 122.87 2.38 . . . . 0.0 112.192 179.285 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.1 m -131.7 121.72 24.72 Favored 'General case' 0 N--CA 1.448 -0.55 0 O-C-N 124.167 0.917 . . . . 0.0 110.108 -177.699 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.4 t -101.21 123.03 46.32 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.82 178.683 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -69.69 84.72 0.63 Allowed 'Trans proline' 0 N--CA 1.464 -0.226 0 C-N-CA 122.784 2.323 . . . . 0.0 111.707 179.496 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.7 t -76.79 -14.13 59.95 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.423 0.63 . . . . 0.0 109.628 -174.481 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -77.68 -10.5 59.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.819 -1.082 . . . . 0.0 109.57 177.188 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.4 tpt180 -78.52 -10.6 59.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.835 177.794 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.7 30.89 4.72 Favored Glycine 0 C--O 1.246 0.906 0 C-N-CA 120.845 -0.693 . . . . 0.0 113.006 177.186 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.492 ' CD2' ' HB3' ' A' ' 38' ' ' CYS . 31.7 m-85 -90.57 137.66 32.18 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-O 120.868 0.366 . . . . 0.0 110.095 -179.742 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.1 m -91.08 -28.1 18.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.736 -174.455 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -155.42 163.92 31.79 Favored Glycine 0 N--CA 1.442 -0.924 0 C-N-CA 120.965 -0.636 . . . . 0.0 111.944 177.907 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.8 t -129.05 125.61 37.64 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 176.75 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 31.6 m -116.87 156.57 27.1 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.555 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.408 ' HD3' ' C ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -86.96 128.6 35.07 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 176.565 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.443 ' HD2' ' H ' ' A' ' 34' ' ' LEU . 22.8 t80 -115.92 150.04 37.75 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.9 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -52.51 -39.1 60.93 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.922 0.391 . . . . 0.0 111.193 -177.36 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.443 ' H ' ' HD2' ' A' ' 32' ' ' TYR . 2.4 mm? -94.82 -0.53 54.05 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -176.538 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.614 ' HA3' ' H ' ' A' ' 16' ' ' TYR . . . 160.82 -136.74 4.61 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 119.381 -1.39 . . . . 0.0 114.564 174.406 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.4 m -112.76 118.58 35.37 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 120.715 0.293 . . . . 0.0 110.399 -173.761 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.486 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 23.3 t -86.23 104.67 15.99 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 120.976 0.417 . . . . 0.0 110.319 -178.842 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.492 ' HB3' ' CD2' ' A' ' 26' ' ' TYR . 84.3 m -97.58 109.16 21.97 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 177.006 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.559 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 0.8 OUTLIER -131.93 128.23 21.45 Favored Pre-proline 0 N--CA 1.446 -0.65 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -168.004 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -99.39 -85.84 0.0 OUTLIER 'Trans proline' 0 N--CA 1.443 -1.456 0 C-N-CA 123.57 2.846 . . . . 0.0 111.862 164.858 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -175.17 73.96 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.849 -1.068 . . . . 0.0 108.895 -174.753 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.4 t70 . . . . . 0 C--O 1.247 0.934 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.342 -178.211 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.4 p . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 121.332 0.587 . . . . 0.0 110.698 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.88 151.23 31.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.408 -175.596 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 49.4 t -149.73 148.75 29.61 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.797 178.72 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.4 m -125.92 123.83 39.47 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.49 0.662 . . . . 0.0 111.5 -179.317 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 71.5 m -112.8 73.53 0.82 Allowed 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 115.145 -0.934 . . . . 0.0 108.52 173.208 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.62 -112.57 5.11 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.574 -175.216 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -81.17 -23.04 38.48 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.014 0.435 . . . . 0.0 110.235 179.165 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.3 m -84.23 105.14 14.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.285 -178.583 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -116.76 136.6 52.83 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 122.262 -0.274 . . . . 0.0 110.618 -178.833 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.442 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -173.31 -137.88 2.5 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.654 -177.628 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.5 mm -122.01 133.39 68.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.677 0.275 . . . . 0.0 110.686 -171.609 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.574 ' HE2' ' HB2' ' A' ' 34' ' ' LEU . 7.7 p90 -97.45 137.28 36.66 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 120.059 -0.657 . . . . 0.0 109.873 177.098 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.413 ' O ' ' HA3' ' A' ' 35' ' ' GLY . 7.6 m95 -100.52 159.1 15.42 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 -179.585 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -82.2 -159.34 0.3 Allowed 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 177.353 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -60.02 87.69 0.01 OUTLIER 'General case' 0 C--O 1.25 1.088 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 -177.925 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 62.2 mtp85 -146.04 98.9 4.35 Favored Pre-proline 0 C--N 1.343 0.309 0 CA-C-N 114.33 -1.305 . . . . 0.0 108.202 174.216 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_endo -61.19 -14.12 32.05 Favored 'Trans proline' 0 C--O 1.25 1.096 0 C-N-CA 122.993 2.462 . . . . 0.0 113.692 -172.559 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.1 m -114.85 88.98 2.99 Favored 'General case' 0 N--CA 1.451 -0.419 0 O-C-N 123.57 0.544 . . . . 0.0 111.308 -178.021 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 40.4 t -86.96 135.62 35.05 Favored Pre-proline 0 C--N 1.325 -0.464 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 172.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo -73.54 79.64 2.14 Favored 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.812 2.342 . . . . 0.0 111.104 178.543 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.635 ' HA ' ' HD2' ' A' ' 26' ' ' TYR . 3.2 p -78.61 14.78 1.18 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -172.261 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -100.35 21.85 12.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.422 0.629 . . . . 0.0 109.586 176.283 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 53.8 mtp85 -112.87 37.55 3.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.926 -178.231 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.23 -16.46 48.25 Favored Glycine 0 C--O 1.249 1.081 0 C-N-CA 120.877 -0.677 . . . . 0.0 112.626 177.859 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.635 ' HD2' ' HA ' ' A' ' 22' ' ' THR . 23.9 m-85 -50.32 119.68 3.91 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 124.555 0.797 . . . . 0.0 111.07 -177.513 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.0 m -95.09 -31.36 13.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.594 -176.767 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -127.96 146.43 16.67 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.801 179.15 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.449 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 7.6 t -129.22 92.21 3.33 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 175.247 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.3 m -103.71 159.69 15.41 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.519 -173.595 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.448 ' HD2' ' O ' ' A' ' 35' ' ' GLY . 10.2 tpt180 -85.52 131.81 34.3 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 174.884 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.519 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 8.4 t80 -117.83 159.81 22.45 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 175.161 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.444 ' HB2' HD21 ' A' ' 34' ' ' LEU . 74.2 m-85 -53.9 -28.97 39.78 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 112.268 0.469 . . . . 0.0 112.268 -175.592 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.574 ' HB2' ' HE2' ' A' ' 13' ' ' TYR . 2.1 mm? -109.28 -3.68 17.01 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.2 0.445 . . . . 0.0 112.2 -176.024 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.448 ' O ' ' HD2' ' A' ' 31' ' ' ARG . . . 168.87 -131.37 2.28 Favored Glycine 0 C--O 1.227 -0.338 0 C-N-CA 119.411 -1.376 . . . . 0.0 113.632 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 87.8 m -127.86 123.49 35.21 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.051 0.453 . . . . 0.0 111.364 -174.532 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.519 ' SG ' ' HB2' ' A' ' 32' ' ' TYR . 99.7 m -79.38 108.77 13.15 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.974 179.53 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 55.9 m -96.62 97.95 9.8 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 173.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.442 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 38.7 p -121.14 112.75 33.02 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.78 -167.283 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -96.62 -86.71 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.111 0 C-N-CA 122.945 2.43 . . . . 0.0 111.83 169.034 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -169.56 32.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.729 -1.212 . . . . 0.0 107.729 175.872 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.4 t70 . . . . . 0 C--O 1.252 1.231 0 CA-C-N 114.72 -1.127 . . . . 0.0 109.578 -169.904 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.4 p . . . . . 0 C--O 1.234 0.245 0 CA-C-O 121.138 0.494 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.98 148.02 52.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.199 -179.194 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.478 ' HB2' ' HB3' ' A' ' 13' ' ' TYR . 49.4 t -141.36 154.59 45.74 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.212 -179.4 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.9 m -131.28 134.06 46.01 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.134 0.492 . . . . 0.0 111.058 -178.825 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.42 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 68.8 m -120.96 78.0 1.35 Allowed 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 173.276 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.95 -114.68 7.06 Favored Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 111.398 -0.681 . . . . 0.0 111.398 -173.584 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -81.04 -20.78 40.93 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.461 0.172 . . . . 0.0 110.984 178.724 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.42 ' HB2' ' HB2' ' A' ' 6' ' ' CYS . 19.8 m -78.69 122.43 25.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.953 0.406 . . . . 0.0 109.994 -179.139 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.516 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 46.0 mmtm -115.67 142.25 46.99 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -178.369 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.452 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -174.92 -148.0 6.47 Favored Glycine 0 N--CA 1.448 -0.567 0 C-N-CA 120.069 -1.062 . . . . 0.0 112.832 179.792 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.9 mm -127.92 141.7 45.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 -176.113 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.478 ' HB3' ' HB2' ' A' ' 4' ' ' CYS . 0.6 OUTLIER -105.28 128.97 53.71 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 121.655 0.74 . . . . 0.0 110.503 176.975 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.538 ' O ' ' HA3' ' A' ' 35' ' ' GLY . 32.4 m95 -101.62 150.01 23.53 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 114.48 -1.236 . . . . 0.0 108.871 -178.534 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.497 ' HA ' ' O ' ' A' ' 34' ' ' LEU . 89.0 m-85 -79.4 100.69 7.75 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.985 0.422 . . . . 0.0 111.242 -176.439 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.466 ' H ' ' HA3' ' A' ' 35' ' ' GLY . 83.5 m-85 53.66 80.94 0.1 Allowed 'General case' 0 C--O 1.249 1.07 0 CA-C-N 114.694 -1.139 . . . . 0.0 112.732 175.606 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.7 mmt180 -115.01 112.06 44.76 Favored Pre-proline 0 N--CA 1.452 -0.337 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.536 175.478 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -57.75 -17.84 31.15 Favored 'Trans proline' 0 C--O 1.249 1.07 0 C-N-CA 123.144 2.563 . . . . 0.0 112.49 -176.57 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.1 p -152.79 138.28 17.68 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.762 177.909 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.9 t -92.22 122.13 65.35 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.113 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -70.16 125.07 11.53 Favored 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 122.554 2.17 . . . . 0.0 111.328 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.22 68.9 4.34 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.265 0.555 . . . . 0.0 111.397 -175.282 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -89.64 -56.89 3.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.482 177.657 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -89.91 23.51 2.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.934 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 53.32 28.63 35.78 Favored Glycine 0 C--O 1.245 0.805 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.566 -179.743 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.59 ' HD1' ' HD3' ' A' ' 40' ' ' PRO . 64.3 m-85 -32.55 128.09 0.25 Allowed 'General case' 0 C--N 1.352 0.702 0 O-C-N 125.153 1.149 . . . . 0.0 112.704 179.607 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.416 ' OG1' ' HA ' ' A' ' 40' ' ' PRO . 6.3 m -82.98 -42.7 17.27 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.241 -175.35 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -129.66 162.29 22.84 Favored Glycine 0 N--CA 1.443 -0.864 0 CA-C-N 115.617 -0.719 . . . . 0.0 112.183 179.016 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.9 m -135.07 81.35 1.89 Allowed 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 177.565 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.558 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 35.0 m -76.32 136.08 39.58 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.705 -174.568 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.415 ' HD2' ' O ' ' A' ' 35' ' ' GLY . 1.0 OUTLIER -79.31 97.25 6.22 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 176.883 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.529 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 4.5 t80 -79.57 163.1 24.92 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 176.87 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.503 ' HB3' HD21 ' A' ' 34' ' ' LEU . 29.1 t80 -51.7 -35.55 43.27 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.623 0.249 . . . . 0.0 111.489 -174.49 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.503 HD21 ' HB3' ' A' ' 33' ' ' PHE . 2.8 mm? -115.28 16.74 16.8 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -177.045 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.538 ' HA3' ' O ' ' A' ' 14' ' ' TRP . . . 158.84 -143.44 9.27 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 118.304 -1.903 . . . . 0.0 115.219 173.845 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.403 ' O ' ' HA ' ' A' ' 13' ' ' TYR . 5.0 m -115.26 112.65 22.76 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.35 -0.425 . . . . 0.0 111.407 -170.126 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.558 ' HB2' ' HB2' ' A' ' 30' ' ' CYS . 66.6 m -79.73 93.04 5.49 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.35 174.54 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 91.3 m -79.36 105.47 10.7 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 175.767 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.452 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 28.0 p -127.07 111.42 21.72 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -170.697 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.59 ' HD3' ' HD1' ' A' ' 26' ' ' TYR . 20.1 Cg_endo -93.52 -83.9 0.0 OUTLIER 'Trans proline' 0 N--CA 1.445 -1.367 0 C-N-CA 122.528 2.152 . . . . 0.0 110.223 161.318 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -161.88 27.33 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.606 172.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.9 t70 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.384 -0.817 . . . . 0.0 110.618 -171.602 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.236 0.392 0 CA-C-O 121.354 0.597 . . . . 0.0 110.662 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -74.16 133.52 42.77 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.588 -175.133 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 46.9 t -134.01 151.52 51.48 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.303 176.924 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.5 m -131.02 136.09 48.17 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.405 0.621 . . . . 0.0 111.478 -178.039 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.7 m -118.32 88.53 2.94 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.99 -1.005 . . . . 0.0 108.393 171.674 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.36 -109.31 2.79 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 -173.543 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 28.1 p-10 -103.21 -5.41 23.18 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.801 0.334 . . . . 0.0 110.192 176.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.7 t -82.9 127.33 33.4 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 178.409 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -133.31 144.2 49.52 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.157 -173.587 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.461 ' HA2' ' HB3' ' A' ' 42' ' ' ASP . . . -176.75 -134.92 2.06 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.366 -179.844 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 47.1 mm -126.75 134.99 64.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 -173.397 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.4 p90 -101.27 143.8 30.89 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.179 -0.608 . . . . 0.0 109.972 176.115 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.547 ' O ' ' HA3' ' A' ' 35' ' ' GLY . 30.4 m95 -109.04 137.52 46.82 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.088 -173.681 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.495 ' O ' ' HG2' ' A' ' 17' ' ' ARG . 99.2 m-85 -78.56 122.19 25.59 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.462 -174.495 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . 0.416 ' O ' ' HD3' ' A' ' 18' ' ' PRO . 30.8 p90 48.27 20.73 0.3 Allowed 'General case' 0 C--O 1.25 1.086 0 C-N-CA 124.53 1.132 . . . . 0.0 113.19 -177.377 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.495 ' HG2' ' O ' ' A' ' 15' ' ' PHE . 22.8 mmm180 -99.92 103.37 21.8 Favored Pre-proline 0 C--N 1.343 0.314 0 O-C-N 123.505 0.503 . . . . 0.0 110.084 179.902 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.416 ' HD3' ' O ' ' A' ' 16' ' ' TYR . 88.0 Cg_endo -89.99 39.48 0.4 Allowed 'Trans proline' 0 C--O 1.249 1.071 0 C-N-CA 123.068 2.512 . . . . 0.0 112.617 -177.35 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.8 t -155.04 119.72 4.8 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.769 -178.723 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 94.3 m -92.93 121.34 66.02 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.303 179.79 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.53 118.98 5.67 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 123.085 2.523 . . . . 0.0 112.237 178.029 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.9 m -78.34 2.55 18.21 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.361 0.6 . . . . 0.0 111.08 -176.416 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -79.73 -44.65 20.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.77 -177.962 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.4 ttp85 -97.86 39.29 1.23 Allowed 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 121.14 0.495 . . . . 0.0 110.82 -176.44 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.417 ' O ' ' HB3' ' A' ' 40' ' ' PRO . . . 46.68 36.46 8.22 Favored Glycine 0 C--O 1.249 1.072 0 CA-C-N 114.84 -1.073 . . . . 0.0 115.427 167.403 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.489 ' HD1' ' HD3' ' A' ' 40' ' ' PRO . 57.9 m-85 -61.88 119.44 8.81 Favored 'General case' 0 C--N 1.344 0.339 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 174.481 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.5 m -92.55 -39.26 11.46 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.3 -170.379 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -113.22 153.91 17.27 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.938 -0.648 . . . . 0.0 111.856 -179.065 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.9 t -140.21 105.19 4.98 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.171 0.51 . . . . 0.0 109.73 179.366 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 33.6 m -115.1 157.31 23.74 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.664 -178.518 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -92.11 124.7 36.39 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.366 0.603 . . . . 0.0 110.005 175.83 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.551 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 7.3 t80 -110.65 155.05 22.94 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 176.038 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -46.96 -41.22 15.8 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.773 0.32 . . . . 0.0 111.504 -177.825 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -89.48 -15.6 32.71 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -174.362 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.547 ' HA3' ' O ' ' A' ' 14' ' ' TRP . . . 170.84 -138.32 4.88 Favored Glycine 0 C--O 1.223 -0.584 0 C-N-CA 119.715 -1.231 . . . . 0.0 113.333 -178.747 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.1 m -117.7 123.81 46.98 Favored 'General case' 0 C--N 1.317 -0.817 0 O-C-N 122.422 -0.458 . . . . 0.0 111.144 -175.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.551 ' SG ' ' HB2' ' A' ' 32' ' ' TYR . 80.5 m -81.44 107.13 13.96 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.064 178.745 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 37.3 m -98.87 105.34 17.47 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 176.836 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 39.7 p -119.51 116.17 33.59 Favored Pre-proline 0 C--N 1.323 -0.585 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -169.804 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.489 ' HD3' ' HD1' ' A' ' 26' ' ' TYR . 33.0 Cg_endo -96.57 -90.1 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 122.581 2.187 . . . . 0.0 111.028 163.385 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -154.6 37.95 0.42 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 173.933 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.461 ' HB3' ' HA2' ' A' ' 11' ' ' GLY . 35.3 t70 . . . . . 0 C--O 1.253 1.238 0 CA-C-N 114.791 -1.095 . . . . 0.0 110.426 -172.375 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 18.6 p . . . . . 0 N--CA 1.451 -0.413 0 CA-C-O 121.248 0.547 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.39 135.8 44.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.177 -177.918 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 42.0 t -136.0 152.84 51.34 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.031 -179.066 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.0 m -129.24 134.15 47.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.025 0.441 . . . . 0.0 110.926 -178.302 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 87.7 m -123.99 90.5 3.28 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.143 178.213 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.27 -96.12 0.11 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 121.062 -0.589 . . . . 0.0 112.501 179.207 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -91.61 -36.41 13.68 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.08 0.467 . . . . 0.0 110.56 179.477 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.0 m -83.52 144.02 29.8 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.373 -172.345 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.551 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -133.48 135.8 44.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.223 178.046 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.44 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -166.42 -137.71 2.28 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.16 -1.019 . . . . 0.0 112.844 -178.175 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 51.1 mm -127.39 137.2 58.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 -173.214 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.455 ' HE2' ' HB2' ' A' ' 34' ' ' LEU . 10.0 p90 -99.71 138.04 37.35 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 119.966 -0.694 . . . . 0.0 110.038 177.098 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 34.2 m95 -107.71 144.6 34.6 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.637 -176.091 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -79.36 122.14 26.01 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.926 0.393 . . . . 0.0 111.769 -173.728 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 49.93 32.98 6.04 Favored 'General case' 0 C--O 1.248 1.002 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 170.138 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.442 ' HD3' ' O ' ' A' ' 19' ' ' SER . 7.0 ptp180 -108.6 111.8 61.0 Favored Pre-proline 0 N--CA 1.454 -0.274 0 C-N-CA 119.891 -0.723 . . . . 0.0 110.157 169.058 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -78.01 9.0 3.2 Favored 'Trans proline' 0 C--O 1.251 1.137 0 C-N-CA 122.703 2.269 . . . . 0.0 112.09 178.21 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.442 ' O ' ' HD3' ' A' ' 17' ' ' ARG . 43.3 t -123.11 111.34 16.42 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.506 177.92 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.1 t -85.77 128.83 56.96 Favored Pre-proline 0 C--N 1.32 -0.685 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.647 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.401 ' HD2' ' SG ' ' A' ' 38' ' ' CYS . 59.6 Cg_endo -71.88 -177.95 2.86 Favored 'Trans proline' 0 N--CA 1.463 -0.283 0 C-N-CA 122.622 2.215 . . . . 0.0 111.828 178.495 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.6 p -131.98 34.47 3.83 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.115 0.484 . . . . 0.0 110.664 -179.4 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -77.93 -28.38 49.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.705 -173.226 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -110.11 9.62 24.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.748 -0.206 . . . . 0.0 111.551 -179.143 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.96 55.3 30.5 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.29 -0.957 . . . . 0.0 110.977 -172.279 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.438 ' CD1' ' HB3' ' A' ' 38' ' ' CYS . 87.6 m-85 -63.16 142.79 58.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.041 0.448 . . . . 0.0 110.989 -174.568 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 59.6 m -100.24 -47.53 4.92 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.055 -176.049 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -122.21 137.94 11.75 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.363 -0.922 . . . . 0.0 113.081 -177.707 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.0 t -112.05 123.9 51.26 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 175.369 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.638 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 16.0 m -132.72 165.46 24.46 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.087 -172.747 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -103.62 119.77 39.57 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 174.346 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.598 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 0.7 OUTLIER -112.4 165.28 12.34 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 174.56 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.546 ' HB2' HD21 ' A' ' 34' ' ' LEU . 45.7 m-85 -50.21 -33.78 20.59 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -170.151 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.546 HD21 ' HB2' ' A' ' 33' ' ' PHE . 2.1 mm? -108.73 -3.31 17.92 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -173.227 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.65 -147.75 11.66 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 119.348 -1.406 . . . . 0.0 114.102 -179.259 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.6 m -110.65 123.85 50.78 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.889 0.376 . . . . 0.0 110.982 -173.218 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.638 ' HB2' ' HB2' ' A' ' 30' ' ' CYS . 64.4 m -84.31 111.07 19.08 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.454 -179.237 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.438 ' HB3' ' CD1' ' A' ' 26' ' ' TYR . 90.5 m -97.82 103.75 15.72 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 173.396 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.44 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 53.3 p -119.15 111.97 36.51 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -170.437 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.551 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 31.6 Cg_endo -94.27 -80.23 0.0 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 122.759 2.306 . . . . 0.0 112.288 167.876 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -176.64 35.48 0.0 OUTLIER 'General case' 0 C--N 1.334 -0.084 0 C-N-CA 122.985 0.514 . . . . 0.0 110.027 -176.9 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.425 ' OXT' ' HE3' ' A' ' 10' ' ' LYS . 23.1 t70 . . . . . 0 C--O 1.246 0.914 0 CA-C-O 118.386 -0.816 . . . . 0.0 110.079 -176.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.716 0 N-CA-C 111.709 -0.556 . . . . 0.0 111.709 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.512 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 4.9 p -79.18 87.75 4.9 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.361 0.6 . . . . 0.0 110.514 179.285 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.74 138.69 55.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.158 -0.928 . . . . 0.0 112.213 -173.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 53.6 t -142.4 148.71 38.29 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.084 175.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.7 p -133.09 134.01 43.71 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 120.971 0.415 . . . . 0.0 110.773 -178.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 76.9 m -124.11 92.36 3.65 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 176.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.67 -87.94 0.36 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 121.146 -0.55 . . . . 0.0 111.808 -178.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -118.61 -17.17 9.35 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.177 0.513 . . . . 0.0 110.353 177.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.1 m -79.34 133.78 36.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.649 -178.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.498 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 95.8 mttt -121.72 131.19 53.94 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -177.231 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.46 ' CA ' ' HD2' ' A' ' 40' ' ' PRO . . . -162.53 -150.28 5.95 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 119.734 -1.222 . . . . 0.0 114.019 -177.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.3 mm -125.39 136.8 59.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.298 -0.451 . . . . 0.0 110.161 -171.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.512 ' CE1' ' HB ' ' A' ' 2' ' ' THR . 20.6 p90 -106.65 141.9 37.16 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.585 177.431 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.482 ' HB3' ' HB2' ' A' ' 17' ' ' ARG . 24.7 m95 -105.4 137.97 42.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.227 -175.247 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -79.18 106.61 11.34 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.337 -175.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.426 ' O ' ' HD3' ' A' ' 18' ' ' PRO . 86.1 m-85 58.68 16.64 4.5 Favored 'General case' 0 C--O 1.248 1.023 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 175.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.482 ' HB2' ' HB3' ' A' ' 14' ' ' TRP . 17.3 mmm180 -91.15 108.41 28.21 Favored Pre-proline 0 C--N 1.343 0.293 0 O-C-N 123.642 0.589 . . . . 0.0 110.26 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' A' ' 16' ' ' TYR . 6.2 Cg_exo -79.17 4.86 6.2 Favored 'Trans proline' 0 C--O 1.247 0.949 0 C-N-CA 123.144 2.562 . . . . 0.0 111.357 178.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.5 m -113.21 91.82 3.78 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.17 -177.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.4 t -97.9 112.98 63.09 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.037 178.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -70.97 100.95 1.02 Allowed 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.909 2.406 . . . . 0.0 111.377 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.0 t -77.29 -4.02 42.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.206 0.527 . . . . 0.0 110.721 -171.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -77.61 -2.11 34.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.891 -177.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -93.08 19.78 7.53 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.017 0.437 . . . . 0.0 110.292 176.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.56 30.33 66.7 Favored Glycine 0 C--O 1.25 1.139 0 CA-C-N 115.789 -0.641 . . . . 0.0 113.112 176.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -71.05 130.3 41.18 Favored 'General case' 0 C--N 1.347 0.493 0 O-C-N 123.791 0.348 . . . . 0.0 110.491 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.4 m -95.97 -44.35 7.4 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.959 -175.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -126.95 168.23 19.17 Favored Glycine 0 N--CA 1.443 -0.893 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.41 -178.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.6 m -140.39 115.29 9.66 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 177.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 33.6 m -117.74 160.02 22.04 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.306 -176.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -90.0 109.38 20.42 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.139 0.495 . . . . 0.0 109.813 175.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.541 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 20.5 t80 -94.62 151.19 19.51 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 176.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.466 ' HB2' HD22 ' A' ' 34' ' ' LEU . 83.1 m-85 -44.31 -48.95 9.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 123.277 0.36 . . . . 0.0 111.865 -177.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.466 HD22 ' HB2' ' A' ' 33' ' ' PHE . 2.7 mm? -96.15 3.2 53.42 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -173.022 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.448 ' HA3' ' O ' ' A' ' 14' ' ' TRP . . . 161.44 -156.53 28.02 Favored Glycine 0 C--N 1.332 0.339 0 C-N-CA 118.873 -1.632 . . . . 0.0 114.535 177.326 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.2 m -87.24 118.02 26.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.38 -0.41 . . . . 0.0 111.027 -173.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.541 ' HB2' ' HB2' ' A' ' 32' ' ' TYR . 17.8 t -89.48 109.22 20.17 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.948 0.404 . . . . 0.0 110.779 -179.015 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 62.3 m -101.79 107.73 19.02 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.764 178.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.443 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 1.8 p -113.36 113.35 48.57 Favored Pre-proline 0 C--N 1.325 -0.476 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -172.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.498 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 74.0 Cg_endo -92.5 -105.44 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.179 0 C-N-CA 122.926 2.417 . . . . 0.0 110.869 163.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -160.24 56.83 0.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.981 0.42 . . . . 0.0 109.977 175.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 34.5 t70 . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.7 -176.447 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.822 0 N-CA-C 111.693 -0.563 . . . . 0.0 111.693 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 16.7 p -83.97 63.72 7.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.435 0.636 . . . . 0.0 111.058 -178.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.18 144.84 54.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.331 -178.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 30.9 t -152.41 148.72 27.79 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.642 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 p -141.18 128.24 20.75 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.233 0.539 . . . . 0.0 112.43 -177.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 61.1 m -105.87 86.32 2.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.239 174.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.0 -104.94 0.88 Allowed Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.165 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -84.65 -29.76 25.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.751 0.31 . . . . 0.0 110.55 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.4 m -80.74 120.99 25.34 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 -176.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.526 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 95.1 mttt -123.37 134.25 54.02 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.391 -0.226 . . . . 0.0 110.391 -175.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.42 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -171.87 -137.62 2.37 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.412 -0.899 . . . . 0.0 113.121 -178.003 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 42.3 mm -128.93 139.57 51.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 C-N-CA 122.359 0.263 . . . . 0.0 110.383 -172.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.638 ' HE2' ' HB2' ' A' ' 34' ' ' LEU . 5.6 p90 -103.54 139.18 39.22 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 119.857 -0.737 . . . . 0.0 110.468 177.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 15.9 m95 -105.26 148.45 26.97 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.275 -177.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.443 ' HA ' ' O ' ' A' ' 34' ' ' LEU . 89.0 m-85 -79.54 95.99 6.0 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.873 0.368 . . . . 0.0 111.468 -175.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.731 ' H ' ' HA3' ' A' ' 35' ' ' GLY . 68.5 m-85 54.39 76.27 0.25 Allowed 'General case' 0 C--O 1.249 1.032 0 CA-C-N 114.804 -1.089 . . . . 0.0 111.838 176.089 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -116.23 114.84 40.72 Favored Pre-proline 0 N--CA 1.452 -0.35 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.568 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -76.2 10.63 2.03 Favored 'Trans proline' 0 C--O 1.252 1.201 0 C-N-CA 123.032 2.488 . . . . 0.0 112.219 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.8 m -154.38 110.43 3.23 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.807 177.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.0 t -86.5 122.19 72.0 Favored Pre-proline 0 C--N 1.319 -0.736 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 176.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.591 ' HB2' ' HD3' ' A' ' 24' ' ' ARG . 37.1 Cg_endo -68.67 74.19 0.88 Allowed 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.843 2.362 . . . . 0.0 112.033 178.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.45 ' HA ' ' HB2' ' A' ' 26' ' ' TYR . 8.8 t -77.4 3.51 13.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.487 -171.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -79.72 -5.11 54.58 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.318 0.58 . . . . 0.0 109.666 175.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.591 ' HD3' ' HB2' ' A' ' 21' ' ' PRO . 26.6 mtp180 -107.46 38.9 2.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.151 -175.255 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.29 -18.15 47.25 Favored Glycine 0 C--O 1.249 1.045 0 C-N-CA 120.834 -0.698 . . . . 0.0 113.667 172.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.557 ' HE2' ' HG2' ' A' ' 21' ' ' PRO . 26.3 m-85 -55.84 135.08 52.15 Favored 'General case' 0 C--N 1.347 0.478 0 O-C-N 123.755 0.327 . . . . 0.0 110.886 -178.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 13.2 t -116.8 -19.66 9.8 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.07 0.462 . . . . 0.0 110.191 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -131.88 154.97 21.2 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 121.113 -0.565 . . . . 0.0 111.993 178.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.6 m -141.21 87.61 2.1 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.161 0.505 . . . . 0.0 109.772 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 12.1 m -92.43 151.43 20.23 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.645 -176.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -79.64 110.99 15.49 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.297 0.57 . . . . 0.0 109.57 173.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.494 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 43.4 t80 -99.7 158.31 15.86 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 177.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -45.85 -49.49 15.29 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.83 0.348 . . . . 0.0 111.796 -178.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.638 ' HB2' ' HE2' ' A' ' 13' ' ' TYR . 2.6 mm? -98.17 9.42 42.97 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -174.33 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.731 ' HA3' ' H ' ' A' ' 16' ' ' TYR . . . 153.24 -135.06 4.68 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 119.073 -1.537 . . . . 0.0 114.529 172.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.8 m -106.11 110.69 23.02 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.899 0.38 . . . . 0.0 110.926 -171.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.494 ' HB2' ' HB2' ' A' ' 32' ' ' TYR . 39.7 t -83.5 98.17 9.4 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.1 0.476 . . . . 0.0 110.075 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 97.2 m -91.92 108.66 20.09 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.831 -179.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.42 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 9.2 p -117.46 116.77 36.83 Favored Pre-proline 0 C--N 1.317 -0.808 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -172.425 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.526 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 38.2 Cg_endo -90.85 -98.44 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.115 0 C-N-CA 122.695 2.263 . . . . 0.0 111.126 164.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -153.96 21.96 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.187 0.517 . . . . 0.0 110.187 174.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.7 t70 . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.308 -0.853 . . . . 0.0 110.28 -173.155 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.64 0 N-CA-C 111.789 -0.524 . . . . 0.0 111.789 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.8 p -79.78 69.89 6.2 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.312 0.577 . . . . 0.0 110.497 177.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.98 137.39 38.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.979 -173.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.538 ' SG ' ' HB3' ' A' ' 13' ' ' TYR . 26.7 p -141.48 158.15 44.22 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.114 176.111 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 p -142.8 133.53 25.31 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.035 0.445 . . . . 0.0 111.136 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 19.2 p -134.17 132.49 39.87 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 178.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.59 -102.38 0.74 Allowed Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.814 -0.707 . . . . 0.0 111.461 -175.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -129.68 9.71 5.5 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.604 0.24 . . . . 0.0 110.973 178.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.6 p -109.71 138.26 46.34 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.106 0.479 . . . . 0.0 111.438 -178.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.509 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 49.6 mtpt -116.9 136.9 52.59 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.232 -178.221 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.485 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -169.87 -142.6 3.62 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.101 -1.047 . . . . 0.0 113.395 179.055 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 47.1 mm -126.07 132.08 70.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 -172.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.538 ' HB3' ' SG ' ' A' ' 4' ' ' CYS . 9.0 p90 -94.87 139.78 30.83 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.087 -0.645 . . . . 0.0 109.956 177.01 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.455 ' O ' ' HA3' ' A' ' 35' ' ' GLY . 41.7 m95 -106.22 150.32 26.0 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.422 -178.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -80.14 96.11 6.44 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.811 0.339 . . . . 0.0 111.42 -175.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.666 ' H ' ' HA3' ' A' ' 35' ' ' GLY . 82.5 m-85 51.6 78.63 0.11 Allowed 'General case' 0 C--O 1.251 1.16 0 CA-C-N 114.922 -1.036 . . . . 0.0 112.391 176.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.9 mmt180 -116.47 121.74 32.87 Favored Pre-proline 0 C--N 1.344 0.355 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.816 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -62.64 -12.38 28.14 Favored 'Trans proline' 0 C--O 1.25 1.117 0 C-N-CA 123.222 2.615 . . . . 0.0 113.102 -175.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.1 m -147.79 144.68 28.38 Favored 'General case' 0 N--CA 1.452 -0.345 0 O-C-N 123.752 0.658 . . . . 0.0 109.829 179.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.4 t -99.87 121.23 54.93 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.188 176.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.421 ' O ' ' HD2' ' A' ' 26' ' ' TYR . 46.7 Cg_endo -70.27 87.68 0.61 Allowed 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 122.362 2.041 . . . . 0.0 111.699 177.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.4 p -77.11 -8.83 58.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.375 0.607 . . . . 0.0 110.479 -176.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -79.14 -11.73 59.98 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.875 177.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.57 33.57 1.42 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.568 178.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.54 ' O ' ' HB3' ' A' ' 40' ' ' PRO . . . 90.18 -30.22 6.06 Favored Glycine 0 C--O 1.247 0.925 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.903 175.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.58 ' HD1' ' HD3' ' A' ' 40' ' ' PRO . 37.7 m-85 -58.75 129.42 42.02 Favored 'General case' 0 C--N 1.346 0.43 0 O-C-N 124.178 0.575 . . . . 0.0 110.741 -177.084 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.4 m -104.59 -40.27 6.08 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.079 0.466 . . . . 0.0 110.766 -175.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -110.94 149.08 17.81 Favored Glycine 0 N--CA 1.441 -0.988 0 C-N-CA 120.954 -0.641 . . . . 0.0 111.663 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.9 p -128.09 90.87 3.16 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.198 0.523 . . . . 0.0 110.207 179.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 59.7 m -96.37 145.11 25.9 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.33 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.448 ' HD3' ' C ' ' A' ' 31' ' ' ARG . 0.1 OUTLIER -82.83 123.94 29.84 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.344 -0.542 . . . . 0.0 109.56 -179.74 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 31.8 t80 -108.67 154.46 21.97 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -48.93 -39.34 25.81 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.945 0.402 . . . . 0.0 111.773 -177.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.509 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 2.6 mm? -94.96 -2.2 50.95 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -175.44 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.666 ' HA3' ' H ' ' A' ' 16' ' ' TYR . . . 158.38 -128.01 1.99 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 119.635 -1.269 . . . . 0.0 114.051 174.138 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.5 m -114.3 111.6 21.76 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 120.892 0.377 . . . . 0.0 110.842 -173.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.524 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 43.0 t -83.46 99.13 9.9 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.002 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.467 ' HB3' ' CG ' ' A' ' 26' ' ' TYR . 94.1 m -92.47 115.39 28.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.148 -179.267 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.485 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 21.5 p -122.77 114.97 29.62 Favored Pre-proline 0 C--N 1.322 -0.588 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 -170.141 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.58 ' HD3' ' HD1' ' A' ' 26' ' ' TYR . 29.1 Cg_endo -97.49 -93.34 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.127 0 C-N-CA 123.054 2.503 . . . . 0.0 111.257 161.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -157.62 57.1 0.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.596 175.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 33.9 t70 . . . . . 0 C--O 1.246 0.891 0 CA-C-O 118.507 -0.759 . . . . 0.0 110.922 -176.577 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.823 0 N-CA-C 112.011 -0.436 . . . . 0.0 112.011 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.479 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 16.9 p -84.64 68.34 10.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.557 0.694 . . . . 0.0 110.387 178.199 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.33 137.43 56.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.878 -175.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 43.4 t -141.72 154.56 45.37 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.236 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.6 m -146.34 140.87 26.71 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.443 0.639 . . . . 0.0 111.792 -177.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 59.7 m -130.75 94.86 3.71 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.814 -1.084 . . . . 0.0 108.507 174.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.16 -118.88 7.64 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.654 -0.784 . . . . 0.0 111.68 -176.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -88.84 -14.06 37.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.066 0.46 . . . . 0.0 109.884 175.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.5 m -79.31 118.04 20.86 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.766 -177.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.598 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 36.2 mtmm -122.56 134.21 54.54 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.848 -176.318 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.405 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -166.57 -146.34 4.81 Favored Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 120.191 -1.004 . . . . 0.0 113.002 -177.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 47.1 mm -127.31 138.8 53.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -173.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.479 ' CE1' ' HB ' ' A' ' 2' ' ' THR . 5.4 p90 -101.68 137.0 40.57 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.39 177.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 22.9 m95 -102.44 144.64 30.64 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.583 -177.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -79.43 102.18 8.59 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.784 -0.189 . . . . 0.0 111.071 -177.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 55.89 61.28 2.85 Favored 'General case' 0 C--O 1.253 1.253 0 O-C-N 123.806 0.692 . . . . 0.0 111.815 176.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.1 mtp180 -141.46 72.91 25.45 Favored Pre-proline 0 C--N 1.343 0.324 0 O-C-N 123.91 0.756 . . . . 0.0 110.761 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -58.77 -19.79 48.23 Favored 'Trans proline' 0 C--O 1.25 1.097 0 C-N-CA 122.685 2.257 . . . . 0.0 111.674 -178.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.9 m -90.69 69.9 6.65 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.024 177.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.3 t -71.93 123.32 89.28 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.651 -176.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -78.94 102.29 1.52 Allowed 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 122.609 2.206 . . . . 0.0 111.339 178.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.5 ' HA ' ' HD2' ' A' ' 26' ' ' TYR . 6.0 t -79.2 65.29 4.33 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 122.318 1.056 . . . . 0.0 111.205 -175.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -79.6 -29.11 41.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.305 176.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.7 mtm180 -106.85 20.49 18.96 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.994 -177.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.409 ' O ' ' HB3' ' A' ' 40' ' ' PRO . . . 66.84 52.83 30.84 Favored Glycine 0 C--O 1.248 1.027 0 CA-C-N 116.07 -0.514 . . . . 0.0 113.452 175.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.5 ' HD2' ' HA ' ' A' ' 22' ' ' THR . 61.2 m-85 -66.03 121.2 14.59 Favored 'General case' 0 C--N 1.346 0.454 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.0 m -88.68 -45.74 9.58 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.211 -171.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -120.84 159.37 15.49 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.515 -175.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.7 t -128.92 122.83 31.1 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 177.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.416 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 56.1 m -124.65 151.26 45.13 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 178.207 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.13 102.17 14.89 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.132 -0.627 . . . . 0.0 109.369 177.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.583 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 34.9 t80 -84.38 157.53 21.41 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.465 -0.788 . . . . 0.0 109.298 -178.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.564 ' HB3' HD21 ' A' ' 34' ' ' LEU . 25.4 t80 -44.68 -46.79 10.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 123.471 0.482 . . . . 0.0 112.086 -176.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.564 HD21 ' HB3' ' A' ' 33' ' ' PHE . 2.9 mm? -102.47 6.09 39.89 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -174.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 161.21 -144.78 10.17 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 118.713 -1.708 . . . . 0.0 114.441 177.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.2 m -98.12 115.75 28.92 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 122.513 0.325 . . . . 0.0 111.128 -172.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.583 ' HB2' ' HB2' ' A' ' 32' ' ' TYR . 37.8 t -87.28 108.22 18.85 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.9 0.381 . . . . 0.0 110.757 -179.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 60.2 m -100.27 111.4 23.68 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.057 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.405 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 16.5 p -119.89 113.6 34.35 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -173.227 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.598 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 24.6 Cg_endo -95.39 -90.63 0.0 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.305 0 C-N-CA 122.918 2.412 . . . . 0.0 111.042 163.441 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -168.25 50.9 0.05 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.226 179.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 . . . . . 0 C--O 1.251 1.153 0 CA-C-O 118.186 -0.912 . . . . 0.0 110.758 -177.996 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.63 0 N-CA-C 112.202 -0.359 . . . . 0.0 112.202 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.7 p -82.74 62.06 6.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.368 0.604 . . . . 0.0 110.819 178.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -80.84 150.88 28.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.621 -176.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 14.6 p -145.14 161.72 38.8 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.462 176.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 p -133.62 134.48 43.29 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.379 0.609 . . . . 0.0 111.797 -175.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 70.7 m -127.17 89.86 3.04 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.664 176.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.87 -108.09 2.36 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 121.006 -0.616 . . . . 0.0 111.96 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -102.4 -5.72 23.81 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.971 0.415 . . . . 0.0 110.666 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.0 m -101.05 126.19 47.71 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.142 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.5 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -126.74 143.09 51.35 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 -178.094 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.418 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -170.38 -143.63 4.02 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.372 -0.918 . . . . 0.0 112.745 -178.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 44.7 mm -124.82 140.68 47.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -173.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.487 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 2.0 p90 -97.05 131.74 43.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.482 0.658 . . . . 0.0 109.98 177.49 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 20.9 m95 -97.15 154.95 17.05 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 114.81 -1.086 . . . . 0.0 109.169 -179.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -85.71 83.38 7.88 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.791 0.329 . . . . 0.0 110.322 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.437 ' H ' ' HA3' ' A' ' 35' ' ' GLY . 81.5 m-85 67.45 86.88 0.13 Allowed 'General case' 0 C--O 1.249 1.065 0 CA-C-N 114.942 -1.026 . . . . 0.0 111.975 177.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -131.5 87.73 45.62 Favored Pre-proline 0 C--N 1.346 0.444 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.018 177.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -64.03 -7.65 14.04 Favored 'Trans proline' 0 C--O 1.248 1.001 0 C-N-CA 123.123 2.549 . . . . 0.0 112.317 179.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.0 m -136.65 66.55 1.48 Allowed 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.45 175.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.445 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 34.7 t -64.75 125.08 88.13 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.164 -179.079 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 20' ' ' CYS . 8.2 Cg_exo -69.33 108.38 1.98 Allowed 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 123.224 2.616 . . . . 0.0 111.879 -177.351 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 37.1 p -79.03 29.18 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -171.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -77.21 -22.33 52.48 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.651 0.262 . . . . 0.0 111.372 -172.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -79.71 -0.89 36.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.506 0.669 . . . . 0.0 109.742 172.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.59 45.55 7.83 Favored Glycine 0 C--O 1.246 0.85 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -176.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.402 ' HA ' ' HB3' ' A' ' 40' ' ' PRO . 13.3 m-85 -62.83 129.29 39.78 Favored 'General case' 0 C--N 1.347 0.483 0 O-C-N 124.244 0.614 . . . . 0.0 111.029 -175.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.4 m -96.36 -48.21 5.68 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.677 -177.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -120.73 153.12 16.71 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.705 -178.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.7 p -129.03 82.01 2.06 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.474 0.654 . . . . 0.0 109.902 177.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.454 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 47.7 m -84.77 159.48 20.45 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.227 -176.432 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -90.47 117.83 29.47 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.007 0.432 . . . . 0.0 110.129 177.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -102.62 156.87 17.33 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 177.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.571 ' HB2' HD21 ' A' ' 34' ' ' LEU . 62.0 m-85 -49.24 -38.75 27.73 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -174.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.571 HD21 ' HB2' ' A' ' 33' ' ' PHE . 2.2 mm? -108.27 7.03 27.11 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.376 0.509 . . . . 0.0 112.376 -174.361 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.437 ' HA3' ' H ' ' A' ' 16' ' ' TYR . . . 163.2 -140.01 6.24 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 118.899 -1.619 . . . . 0.0 114.324 177.096 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.7 m -110.62 113.46 26.1 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.822 0.344 . . . . 0.0 111.195 -170.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.487 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 25.3 t -80.53 99.44 8.06 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.417 179.418 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 64.6 m -93.02 107.68 19.42 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.996 -178.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.418 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 6.1 p -116.0 107.19 48.37 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 115.756 -0.657 . . . . 0.0 112.7 -171.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.5 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 74.1 Cg_endo -92.89 -94.68 0.0 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.076 0 C-N-CA 122.631 2.221 . . . . 0.0 111.425 166.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -151.06 17.19 0.76 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.456 0.646 . . . . 0.0 109.488 176.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.253 1.252 0 CA-C-O 118.202 -0.904 . . . . 0.0 109.825 -172.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.779 0 N-CA-C 111.987 -0.445 . . . . 0.0 111.987 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.535 ' HB ' ' CE2' ' A' ' 13' ' ' TYR . 18.5 p -82.69 74.1 9.68 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.26 0.553 . . . . 0.0 111.041 -177.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.03 140.2 57.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.514 -176.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 54.1 t -146.01 154.32 41.75 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.461 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.3 t -139.12 141.47 38.09 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.5 0.667 . . . . 0.0 111.399 -178.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 83.1 m -122.65 81.01 1.8 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.908 -1.042 . . . . 0.0 108.812 174.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.56 -95.44 0.53 Allowed Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.1 -179.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -108.92 -10.97 15.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.728 0.299 . . . . 0.0 110.866 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.2 m -90.02 109.02 20.09 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 177.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.478 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 27.9 mtmm -108.11 143.39 36.93 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.591 -178.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -170.87 -141.23 3.25 Favored Glycine 0 N--CA 1.441 -0.981 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.436 -179.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.6 mm -129.04 137.16 57.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -174.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.535 ' CE2' ' HB ' ' A' ' 2' ' ' THR . 3.1 p90 -95.38 131.06 41.9 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 119.881 -0.728 . . . . 0.0 109.448 175.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.407 ' O ' ' HA3' ' A' ' 35' ' ' GLY . 40.8 m95 -98.88 144.57 27.93 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.971 -176.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -78.32 101.49 7.22 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.835 0.35 . . . . 0.0 110.271 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 62.36 77.96 0.31 Allowed 'General case' 0 C--O 1.251 1.153 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.691 177.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 86.2 mmt-85 -135.47 71.86 65.45 Favored Pre-proline 0 C--N 1.346 0.443 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.644 176.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.28 -21.43 22.85 Favored 'Trans proline' 0 C--O 1.25 1.091 0 C-N-CA 122.922 2.414 . . . . 0.0 112.404 -177.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.3 t -127.68 87.9 2.7 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 175.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.2 t -66.83 129.68 94.04 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.56 -171.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -75.0 98.12 1.14 Allowed 'Trans proline' 0 N--CA 1.461 -0.408 0 C-N-CA 122.843 2.362 . . . . 0.0 111.126 176.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.536 ' HA ' ' CD2' ' A' ' 26' ' ' TYR . 5.0 t -79.02 87.19 4.83 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 122.177 0.989 . . . . 0.0 111.187 -175.137 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -83.0 -28.0 30.0 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.968 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -128.07 36.66 4.28 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.032 0.444 . . . . 0.0 111.417 -174.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.44 ' O ' ' HB3' ' A' ' 40' ' ' PRO . . . 61.93 56.69 21.13 Favored Glycine 0 C--O 1.25 1.1 0 CA-C-N 115.749 -0.66 . . . . 0.0 113.248 177.079 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.536 ' CD2' ' HA ' ' A' ' 22' ' ' THR . 23.1 m-85 -59.48 118.05 5.58 Favored 'General case' 0 C--N 1.345 0.372 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 176.135 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.3 m -86.47 -37.66 18.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.795 0.331 . . . . 0.0 110.921 -171.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -123.75 157.3 18.15 Favored Glycine 0 N--CA 1.441 -1.001 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.083 178.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.8 m -133.81 82.86 2.0 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 176.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.44 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 36.3 m -85.35 157.38 20.55 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.374 -178.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -89.2 122.87 32.91 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.277 177.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -108.05 156.39 19.31 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.631 -0.878 . . . . 0.0 108.631 176.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.47 ' HB2' HD21 ' A' ' 34' ' ' LEU . 94.6 m-85 -47.0 -44.34 20.15 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -175.587 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.47 HD21 ' HB2' ' A' ' 33' ' ' PHE . 2.7 mm? -101.19 1.26 38.86 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -173.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.407 ' HA3' ' O ' ' A' ' 14' ' ' TRP . . . 165.87 -143.36 8.35 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 119.073 -1.537 . . . . 0.0 114.117 178.427 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.2 m -106.42 118.07 35.68 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.162 0.506 . . . . 0.0 111.378 -172.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 41.2 t -81.96 96.98 7.87 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.157 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.416 ' HB3' ' CG ' ' A' ' 26' ' ' TYR . 57.4 m -91.77 109.08 20.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.027 -177.441 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 16.6 p -124.32 112.95 27.86 Favored Pre-proline 0 C--N 1.322 -0.626 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 -170.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.478 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 37.9 Cg_endo -98.98 -94.69 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.145 0 C-N-CA 123.022 2.481 . . . . 0.0 111.544 163.431 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -152.72 45.5 0.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 175.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.7 t70 . . . . . 0 C--O 1.249 1.047 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.075 -171.904 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.779 0 N-CA-C 111.668 -0.573 . . . . 0.0 111.668 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.569 ' HB ' ' CE2' ' A' ' 13' ' ' TYR . 18.2 p -79.94 71.61 6.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.277 0.56 . . . . 0.0 110.476 178.044 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.64 163.23 14.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.482 -174.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.4 p -156.1 163.58 39.47 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.155 176.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.3 t -141.43 138.91 33.25 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.446 0.641 . . . . 0.0 111.315 -175.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 55.8 m -121.24 78.42 1.41 Allowed 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.056 -0.975 . . . . 0.0 108.875 176.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.14 -100.22 0.38 Allowed Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.529 -0.759 . . . . 0.0 112.299 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -86.13 -31.32 21.91 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.776 0.322 . . . . 0.0 110.849 -179.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.1 m -86.25 129.29 34.9 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.15 -177.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.602 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 9.7 ptpp? -130.65 137.67 49.7 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 121.158 -0.217 . . . . 0.0 110.504 -177.547 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -170.18 -142.83 3.71 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.062 -1.066 . . . . 0.0 113.593 -177.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.6 mm -127.3 141.69 45.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -171.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.569 ' CE2' ' HB ' ' A' ' 2' ' ' THR . 3.0 p90 -97.93 134.68 40.72 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 121.501 0.667 . . . . 0.0 110.111 177.613 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 22.5 m95 -104.06 167.86 9.49 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.957 -1.02 . . . . 0.0 109.179 179.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -97.99 105.8 18.0 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 120.61 0.243 . . . . 0.0 110.772 -177.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.455 ' H ' ' HA3' ' A' ' 35' ' ' GLY . 62.3 m-85 53.99 73.99 0.35 Allowed 'General case' 0 C--O 1.25 1.107 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.924 178.21 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.7 mmt180 -119.58 111.2 36.43 Favored Pre-proline 0 C--N 1.341 0.234 0 CA-C-N 116.207 -0.452 . . . . 0.0 109.969 177.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -62.97 -12.39 29.32 Favored 'Trans proline' 0 C--O 1.249 1.069 0 C-N-CA 123.024 2.483 . . . . 0.0 111.929 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.2 p -159.24 134.67 8.45 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 114.804 -1.089 . . . . 0.0 109.242 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 73.7 m -78.98 128.7 75.56 Favored Pre-proline 0 C--N 1.318 -0.8 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.45 178.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -62.42 92.67 0.13 Allowed 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.477 2.118 . . . . 0.0 110.294 174.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.0 t -79.79 55.45 2.05 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.679 0.752 . . . . 0.0 112.497 -166.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -79.66 -38.81 32.84 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 174.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 -84.39 2.73 39.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.885 179.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.06 58.7 5.48 Favored Glycine 0 C--O 1.249 1.081 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.333 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -63.0 124.97 22.45 Favored 'General case' 0 C--N 1.347 0.475 0 CA-C-O 121.039 0.447 . . . . 0.0 110.806 -177.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.2 m -100.26 -28.96 12.72 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.212 0.53 . . . . 0.0 110.61 -173.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -123.66 137.74 11.08 Favored Glycine 0 N--CA 1.443 -0.849 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.68 177.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.9 m -117.66 82.15 1.78 Allowed 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 178.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.579 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 59.5 m -87.99 163.96 16.04 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.042 -177.203 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.418 ' HD3' ' C ' ' A' ' 31' ' ' ARG . 0.2 OUTLIER -100.91 128.56 46.89 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 177.672 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.405 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 18.5 t80 -113.44 152.78 29.64 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.416 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.587 ' HB2' HD21 ' A' ' 34' ' ' LEU . 70.5 m-85 -43.12 -44.08 4.8 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -176.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.587 HD21 ' HB2' ' A' ' 33' ' ' PHE . 2.1 mm? -97.36 -6.52 33.98 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -172.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.455 ' HA3' ' H ' ' A' ' 16' ' ' TYR . . . 170.34 -126.07 1.3 Allowed Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 119.829 -1.177 . . . . 0.0 113.897 179.05 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.1 m -115.27 122.8 47.06 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.697 0.284 . . . . 0.0 110.978 -172.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.579 ' HB3' ' HB2' ' A' ' 30' ' ' CYS . 38.9 t -88.07 96.98 10.72 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.205 0.526 . . . . 0.0 109.597 179.373 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 57.8 m -90.67 108.75 20.01 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.077 -176.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.8 p -120.56 113.32 33.53 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -172.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.602 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 35.7 Cg_endo -97.14 -79.83 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.17 0 C-N-CA 122.442 2.095 . . . . 0.0 111.967 163.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.447 ' HA ' ' HG2' ' A' ' 10' ' ' LYS . . . -176.56 43.08 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 -175.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.8 t70 . . . . . 0 C--O 1.247 0.939 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.503 -172.666 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.714 0 N-CA-C 112.092 -0.403 . . . . 0.0 112.092 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.431 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 18.5 p -85.61 68.44 10.41 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.097 0.475 . . . . 0.0 110.574 178.029 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.68 145.89 50.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.099 -178.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 42.1 t -150.5 163.68 37.83 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.403 -177.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m -146.85 144.02 29.01 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.44 -178.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.2 t -152.29 122.66 7.24 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 176.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.33 -122.54 30.18 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.814 -0.708 . . . . 0.0 111.796 -175.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -94.86 -9.93 32.84 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.829 0.347 . . . . 0.0 110.883 177.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.6 p -95.73 138.43 33.4 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.019 0.438 . . . . 0.0 111.343 -174.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -127.82 140.24 52.16 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.315 178.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -167.24 -132.11 1.36 Allowed Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.627 -176.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.0 mm -132.3 137.96 53.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -175.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.555 ' HE2' ' HB2' ' A' ' 34' ' ' LEU . 11.0 p90 -100.64 139.18 36.69 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.081 -0.647 . . . . 0.0 110.025 177.443 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 20.4 m95 -103.6 146.41 28.6 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.729 -177.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -79.38 95.08 5.65 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.571 ' H ' ' HA3' ' A' ' 35' ' ' GLY . 84.2 m-85 58.1 76.04 0.35 Allowed 'General case' 0 C--O 1.25 1.12 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.024 178.346 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -131.51 82.83 60.48 Favored Pre-proline 0 C--N 1.343 0.305 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.677 177.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.41 -24.33 34.89 Favored 'Trans proline' 0 C--O 1.248 1.014 0 C-N-CA 123.607 2.871 . . . . 0.0 113.042 -174.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.9 t -106.9 91.09 3.52 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.481 -0.781 . . . . 0.0 108.974 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.0 t -69.23 116.32 41.1 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.101 -179.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -60.26 115.93 2.98 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.898 2.399 . . . . 0.0 112.134 -176.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.0 t -85.26 23.86 1.22 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.366 0.603 . . . . 0.0 110.377 -176.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -78.69 -25.93 44.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.9 -174.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -118.76 38.99 3.61 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.803 -0.359 . . . . 0.0 111.9 -179.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 55.22 25.41 39.84 Favored Glycine 0 C--O 1.25 1.126 0 N-CA-C 114.595 0.598 . . . . 0.0 114.595 171.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -48.21 120.86 3.84 Favored 'General case' 0 C--N 1.349 0.575 0 O-C-N 124.0 0.47 . . . . 0.0 110.332 175.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.6 m -83.65 -45.76 13.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.985 -171.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -121.19 156.16 16.28 Favored Glycine 0 N--CA 1.441 -1.006 0 C-N-CA 120.978 -0.63 . . . . 0.0 112.136 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 9.2 t -139.26 103.01 4.64 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 176.323 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 56.9 m -113.88 146.4 40.07 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.551 -176.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.16 110.14 12.88 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.501 0.667 . . . . 0.0 109.734 -178.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.568 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 43.5 t80 -93.21 158.81 15.57 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 114.893 -1.049 . . . . 0.0 108.694 179.566 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.483 ' HB2' HD21 ' A' ' 34' ' ' LEU . 53.0 m-85 -43.04 -48.16 6.02 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -176.536 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.555 ' HB2' ' HE2' ' A' ' 13' ' ' TYR . 3.0 mm? -92.82 -7.56 46.03 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 -174.002 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.571 ' HA3' ' H ' ' A' ' 16' ' ' TYR . . . 165.96 -128.98 1.85 Allowed Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 118.953 -1.594 . . . . 0.0 114.304 178.122 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.6 m -111.1 109.37 19.42 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.057 0.456 . . . . 0.0 111.043 -171.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.568 ' HB2' ' HB2' ' A' ' 32' ' ' TYR . 39.1 t -85.46 110.48 19.2 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.469 -178.126 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 82.9 m -103.55 116.13 31.81 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.051 0.453 . . . . 0.0 110.001 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.6 p -124.39 113.58 27.6 Favored Pre-proline 0 C--N 1.321 -0.669 0 N-CA-C 112.913 0.709 . . . . 0.0 112.913 -172.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -96.7 -90.33 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 122.787 2.325 . . . . 0.0 111.16 165.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -163.85 31.61 0.08 Allowed 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 175.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.5 t70 . . . . . 0 C--O 1.246 0.889 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.476 -168.339 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.517 0 N-CA-C 111.951 -0.46 . . . . 0.0 111.951 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.411 ' HB ' HG21 ' A' ' 12' ' ' ILE . 1.1 m -79.64 63.08 4.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.472 0.653 . . . . 0.0 109.617 177.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.421 ' HA ' ' O ' ' A' ' 11' ' ' GLY . . . -66.83 138.92 57.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.884 -1.053 . . . . 0.0 112.337 -173.247 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 52.5 t -146.77 166.78 25.6 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.811 -1.086 . . . . 0.0 108.421 176.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.3 t -146.5 143.37 28.89 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.25 0.547 . . . . 0.0 111.941 -175.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 72.2 m -125.82 94.32 4.08 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.019 -0.991 . . . . 0.0 108.904 173.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.87 -104.78 1.6 Allowed Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.761 -0.733 . . . . 0.0 111.323 -176.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -103.58 -13.81 16.41 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.997 0.427 . . . . 0.0 110.012 176.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.3 m -78.69 134.86 37.08 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.665 -177.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.406 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 34.6 mtmm -131.6 142.14 49.82 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.045 -175.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.421 ' O ' ' HA ' ' A' ' 3' ' ' ALA . . . -175.43 -137.81 2.63 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.352 -0.928 . . . . 0.0 112.634 -178.723 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.411 HG21 ' HB ' ' A' ' 2' ' ' THR . 48.9 mm -123.64 134.95 64.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 -172.689 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.483 ' HE2' ' HB2' ' A' ' 34' ' ' LEU . 5.3 p90 -104.28 133.03 49.87 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 120.046 -0.662 . . . . 0.0 110.209 175.494 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.432 ' O ' ' HA3' ' A' ' 35' ' ' GLY . 65.3 m95 -93.26 164.86 13.07 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.245 -176.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -105.37 104.85 14.66 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 120.564 -0.454 . . . . 0.0 111.661 -174.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 59.57 67.51 0.88 Allowed 'General case' 0 C--O 1.25 1.119 0 CA-C-N 115.05 -0.977 . . . . 0.0 112.131 176.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 50.9 mtt180 -124.46 121.14 25.93 Favored Pre-proline 0 C--N 1.346 0.414 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.512 175.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -60.91 -13.97 30.03 Favored 'Trans proline' 0 C--O 1.252 1.187 0 C-N-CA 123.417 2.744 . . . . 0.0 113.042 -178.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 59.1 p -138.8 144.55 39.39 Favored 'General case' 0 N--CA 1.45 -0.472 0 O-C-N 123.696 0.622 . . . . 0.0 110.582 -178.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 41.8 t -93.97 116.17 66.1 Favored Pre-proline 0 C--N 1.322 -0.615 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 174.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -65.18 98.12 0.31 Allowed 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 122.824 2.349 . . . . 0.0 112.034 -179.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.0 p -79.08 16.88 0.84 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.217 0.532 . . . . 0.0 111.245 -176.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -78.96 -12.7 60.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.878 177.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.452 ' HB2' ' CE2' ' A' ' 26' ' ' TYR . 17.5 mmm180 -107.63 27.48 9.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.285 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.96 14.19 44.36 Favored Glycine 0 C--O 1.251 1.16 0 CA-C-O 119.662 -0.521 . . . . 0.0 114.324 173.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.571 ' CG ' ' HB3' ' A' ' 38' ' ' CYS . 31.1 m-85 -53.53 133.27 41.07 Favored 'General case' 0 C--N 1.347 0.459 0 O-C-N 123.878 0.399 . . . . 0.0 111.177 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 91.7 m -94.42 -50.6 5.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.777 -176.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -105.69 144.93 15.86 Favored Glycine 0 N--CA 1.442 -0.913 0 N-CA-C 111.608 -0.597 . . . . 0.0 111.608 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.5 p -128.19 87.96 2.68 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.524 0.678 . . . . 0.0 109.756 178.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 16.8 m -103.54 136.21 43.69 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.757 -176.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.74 114.96 18.11 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 177.647 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.432 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 2.0 t80 -102.25 158.11 16.42 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -178.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -49.43 -40.79 37.95 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 111.849 0.315 . . . . 0.0 111.849 -172.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.483 ' HB2' ' HE2' ' A' ' 13' ' ' TYR . 2.3 mm? -91.9 -13.86 30.56 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 112.392 0.515 . . . . 0.0 112.392 -176.314 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.432 ' HA3' ' O ' ' A' ' 14' ' ' TRP . . . 168.83 -133.69 2.95 Favored Glycine 0 C--O 1.225 -0.453 0 C-N-CA 119.298 -1.43 . . . . 0.0 114.146 -179.683 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.23 105.79 15.37 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.713 0.292 . . . . 0.0 111.323 -170.133 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.432 ' HB2' ' HB2' ' A' ' 32' ' ' TYR . 51.5 t -80.36 98.08 7.31 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.975 0.417 . . . . 0.0 110.177 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.571 ' HB3' ' CG ' ' A' ' 26' ' ' TYR . 73.4 m -101.34 114.84 29.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.293 -178.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.3 p -125.68 111.28 25.27 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -169.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.473 ' HD3' ' HD1' ' A' ' 26' ' ' TYR . 42.1 Cg_endo -97.27 -90.11 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 122.795 2.33 . . . . 0.0 111.217 165.515 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -157.24 32.53 0.28 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 174.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.9 t70 . . . . . 0 C--O 1.248 1.002 0 CA-C-N 115.184 -0.917 . . . . 0.0 110.544 -171.877 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.601 0 N-CA-C 111.603 -0.599 . . . . 0.0 111.603 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.404 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 16.9 p -82.58 69.16 9.3 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.125 0.488 . . . . 0.0 110.642 179.283 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.85 143.7 41.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.758 -176.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.454 ' SG ' ' HB3' ' A' ' 13' ' ' TYR . 30.8 p -145.58 174.41 11.19 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.471 175.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.5 m -144.98 140.45 28.2 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.24 0.543 . . . . 0.0 111.646 -177.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 79.6 m -121.11 80.48 1.65 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.532 173.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.03 -98.25 0.62 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 121.011 -0.614 . . . . 0.0 111.888 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -94.3 -24.08 17.57 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.97 0.414 . . . . 0.0 110.527 178.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.8 m -81.3 127.1 32.36 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.517 -176.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.443 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 62.0 mttm -120.07 131.37 55.07 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -178.157 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.454 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -168.92 -141.23 3.15 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 119.566 -1.302 . . . . 0.0 113.586 -178.165 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.1 mm -128.93 136.22 60.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.573 -0.313 . . . . 0.0 110.187 -171.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.454 ' HB3' ' SG ' ' A' ' 4' ' ' CYS . 22.9 p90 -97.66 139.74 33.1 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.333 -0.547 . . . . 0.0 109.65 176.072 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 35.1 m95 -109.86 149.96 29.1 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.425 -177.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -79.46 88.94 5.02 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.104 0.478 . . . . 0.0 111.182 -176.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 63.52 64.43 0.81 Allowed 'General case' 0 C--O 1.248 1.02 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.919 176.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -100.57 118.67 60.5 Favored Pre-proline 0 C--N 1.345 0.387 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.162 174.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_exo -71.49 -1.62 10.04 Favored 'Trans proline' 0 C--O 1.248 0.982 0 C-N-CA 122.861 2.374 . . . . 0.0 111.997 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.3 t -160.16 133.62 6.94 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.221 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 89.4 m -80.0 123.98 83.27 Favored Pre-proline 0 C--N 1.321 -0.642 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 176.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -42.4 108.85 0.11 Allowed 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 123.28 2.653 . . . . 0.0 112.281 178.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.2 t -77.4 -3.46 40.35 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.792 -169.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.433 ' HB2' ' NH1' ' A' ' 24' ' ' ARG . 3.6 m-20 -79.21 -22.06 45.43 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.301 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.433 ' NH1' ' HB2' ' A' ' 23' ' ' ASP . 2.3 mpp_? -104.59 17.89 23.27 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.629 -178.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 49.68 32.92 17.82 Favored Glycine 0 C--O 1.25 1.121 0 N-CA-C 114.959 0.744 . . . . 0.0 114.959 171.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -53.45 131.21 37.73 Favored 'General case' 0 C--N 1.345 0.411 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 174.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.5 m -96.02 -46.38 6.53 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.134 0.492 . . . . 0.0 110.804 -174.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -99.95 155.89 19.64 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.633 178.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 39.9 m -144.88 76.56 1.5 Allowed 'General case' 0 C--N 1.319 -0.717 0 CA-C-O 121.566 0.698 . . . . 0.0 109.551 -179.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.7 m -92.76 140.31 29.65 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.076 -175.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.07 103.82 9.28 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 176.386 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.532 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 25.4 t80 -90.51 157.16 17.69 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.193 -0.912 . . . . 0.0 108.919 -178.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.466 ' HB2' HD21 ' A' ' 34' ' ' LEU . 58.2 m-85 -41.91 -45.38 3.72 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 123.56 0.538 . . . . 0.0 112.301 -177.013 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.466 HD21 ' HB2' ' A' ' 33' ' ' PHE . 2.1 mm? -90.24 -17.68 27.04 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -173.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 170.63 -129.13 1.74 Allowed Glycine 0 C--O 1.227 -0.339 0 C-N-CA 119.574 -1.298 . . . . 0.0 113.616 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.8 m -108.91 108.9 19.84 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.832 0.349 . . . . 0.0 110.781 -174.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.532 ' HB2' ' HB2' ' A' ' 32' ' ' TYR . 49.8 t -80.76 97.91 7.53 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.953 179.417 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 56.3 m -94.57 107.3 19.29 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.485 -178.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.454 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 7.4 p -119.29 113.55 35.25 Favored Pre-proline 0 C--N 1.322 -0.629 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -170.15 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.443 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 31.6 Cg_endo -92.41 -93.6 0.0 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.28 0 C-N-CA 122.337 2.025 . . . . 0.0 110.992 165.496 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -163.64 49.5 0.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 175.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.2 t70 . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.917 -173.911 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.921 0 N-CA-C 111.993 -0.443 . . . . 0.0 111.993 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.475 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 16.6 p -79.63 68.56 5.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.379 0.609 . . . . 0.0 110.643 179.234 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.69 150.13 28.17 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.737 -175.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.408 ' SG ' ' HB3' ' A' ' 13' ' ' TYR . 25.6 p -149.52 176.99 10.13 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.026 175.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.5 m -148.47 143.84 26.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.038 0.447 . . . . 0.0 111.42 -178.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 84.9 m -121.87 93.32 3.96 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.568 175.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.61 -96.6 0.58 Allowed Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.755 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -102.59 -21.12 14.22 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.699 0.285 . . . . 0.0 110.618 178.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.0 p -83.49 145.02 29.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.82 0.343 . . . . 0.0 110.984 -173.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.542 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 28.0 mtmt -125.66 146.38 49.75 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.493 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -174.94 -149.83 7.46 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.011 -1.09 . . . . 0.0 113.037 178.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.4 mm -124.74 136.61 60.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 -173.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.52 ' CE2' ' HB2' ' A' ' 34' ' ' LEU . 20.9 p90 -99.24 141.21 32.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.317 0.579 . . . . 0.0 109.947 177.451 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.53 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 42.5 m95 -105.39 151.4 24.25 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.921 -1.036 . . . . 0.0 108.778 -178.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -79.89 93.28 5.63 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 120.923 0.392 . . . . 0.0 111.064 -175.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.515 ' H ' ' HA3' ' A' ' 35' ' ' GLY . 75.0 m-85 58.73 74.46 0.44 Allowed 'General case' 0 C--O 1.248 1.009 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.772 177.756 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.53 ' HD2' ' HB3' ' A' ' 14' ' ' TRP . 53.2 mtt180 -137.78 80.88 29.89 Favored Pre-proline 0 N--CA 1.452 -0.367 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.975 177.532 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.47 -17.68 35.36 Favored 'Trans proline' 0 C--O 1.25 1.097 0 C-N-CA 123.421 2.748 . . . . 0.0 112.742 -175.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.5 m -113.74 88.11 2.77 Favored 'General case' 0 N--CA 1.449 -0.519 0 O-C-N 124.116 0.885 . . . . 0.0 109.05 177.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.4 t -79.1 135.8 58.05 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.914 -174.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -69.55 90.24 0.5 Allowed 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 123.008 2.472 . . . . 0.0 110.954 176.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.5 t -78.7 13.0 1.81 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.784 -169.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.409 ' HB2' HH11 ' A' ' 24' ' ' ARG . 4.2 m-20 -76.35 -7.89 55.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.196 0.522 . . . . 0.0 110.446 -177.065 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.409 HH11 ' HB2' ' A' ' 23' ' ' ASP . 7.3 mpt_? -88.47 4.02 48.03 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.932 178.217 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.485 ' O ' ' HB3' ' A' ' 40' ' ' PRO . . . 85.27 26.49 36.34 Favored Glycine 0 C--O 1.248 0.987 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.973 -179.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.401 ' HD1' ' HD3' ' A' ' 40' ' ' PRO . 35.6 m-85 -65.7 131.94 47.55 Favored 'General case' 0 C--N 1.348 0.523 0 O-C-N 123.999 0.47 . . . . 0.0 110.72 -178.359 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.5 m -96.04 -50.03 5.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.827 -177.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -112.77 162.05 12.49 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.562 -178.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.7 m -143.38 82.39 1.74 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 177.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 23.4 m -93.71 158.65 15.57 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.469 -175.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -80.04 120.86 24.77 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.021 0.439 . . . . 0.0 109.843 174.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.456 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 42.0 t80 -107.49 154.28 21.6 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 176.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.461 ' HB2' HD21 ' A' ' 34' ' ' LEU . 75.9 m-85 -47.09 -46.25 22.58 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.738 0.304 . . . . 0.0 111.761 -176.786 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.52 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 2.4 mm? -93.23 -4.25 52.29 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -175.225 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.515 ' HA3' ' H ' ' A' ' 16' ' ' TYR . . . 165.92 -130.45 2.15 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 119.229 -1.462 . . . . 0.0 114.12 178.028 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.3 m -115.55 116.67 28.55 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 120.85 0.357 . . . . 0.0 110.521 -172.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.456 ' HB2' ' HB2' ' A' ' 32' ' ' TYR . 35.5 t -87.56 112.12 21.93 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 -176.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 60.0 m -102.92 110.89 22.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.015 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.493 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 29.3 p -118.82 112.07 36.99 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -172.674 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.542 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 20.7 Cg_endo -90.1 -95.14 0.0 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.284 0 C-N-CA 122.503 2.136 . . . . 0.0 110.748 161.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -154.6 40.91 0.46 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.33 0.586 . . . . 0.0 109.908 176.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.3 t70 . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.431 -0.795 . . . . 0.0 110.619 -173.298 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.799 0 N-CA-C 112.314 -0.314 . . . . 0.0 112.314 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.44 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 1.2 p -82.9 83.6 7.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.128 0.489 . . . . 0.0 110.741 176.517 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -83.35 140.86 32.18 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.576 -174.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.569 ' SG ' ' HB3' ' A' ' 13' ' ' TYR . 29.4 p -142.96 163.52 32.55 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.219 175.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m -126.89 131.4 51.16 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.38 0.61 . . . . 0.0 111.862 -176.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 72.3 m -116.17 86.23 2.45 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.09 174.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.74 -104.52 0.66 Allowed Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.301 -178.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -91.04 -26.55 19.13 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.85 0.357 . . . . 0.0 110.837 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.1 p -86.68 125.99 34.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.896 0.379 . . . . 0.0 110.827 -177.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.432 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 61.6 mttm -123.84 135.69 53.91 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 -177.563 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.443 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -168.83 -145.22 4.51 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 119.83 -1.176 . . . . 0.0 113.389 -177.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.1 mm -120.82 135.18 61.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 -173.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.569 ' HB3' ' SG ' ' A' ' 4' ' ' CYS . 11.8 p90 -103.6 140.82 37.04 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.241 0.543 . . . . 0.0 110.079 177.06 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.475 ' O ' ' HA3' ' A' ' 35' ' ' GLY . 33.8 m95 -110.31 139.61 45.32 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.402 -174.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -77.16 107.66 9.7 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.902 0.382 . . . . 0.0 111.217 -170.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 53.35 39.28 29.61 Favored 'General case' 0 C--O 1.247 0.954 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.364 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.7 mtp180 -121.78 91.68 48.68 Favored Pre-proline 0 C--N 1.344 0.342 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.051 178.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -84.34 56.92 5.06 Favored 'Trans proline' 0 C--O 1.251 1.166 0 C-N-CA 122.972 2.448 . . . . 0.0 112.134 -179.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.0 m -152.77 79.69 1.21 Allowed 'General case' 0 C--N 1.345 0.404 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.138 179.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 85.8 m -72.29 116.24 47.08 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.509 -178.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.52 ' HD2' ' CE2' ' A' ' 26' ' ' TYR . 53.4 Cg_exo -54.7 122.71 12.11 Favored 'Trans proline' 0 C--O 1.24 0.614 0 C-N-CA 123.478 2.785 . . . . 0.0 113.007 177.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.5 t -79.59 -18.56 51.37 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.252 -178.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -79.3 -18.74 52.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.122 0.487 . . . . 0.0 109.93 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -80.67 -8.97 59.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.227 175.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.44 ' O ' ' HB3' ' A' ' 40' ' ' PRO . . . 79.61 21.16 67.12 Favored Glycine 0 C--O 1.248 1.013 0 CA-C-N 115.579 -0.737 . . . . 0.0 112.763 178.62 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.52 ' CE2' ' HD2' ' A' ' 21' ' ' PRO . 19.7 m-85 -63.64 127.56 31.91 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 123.778 0.34 . . . . 0.0 110.624 -179.628 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.5 m -94.39 -43.93 8.15 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.008 0.432 . . . . 0.0 110.984 -174.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -118.18 168.52 13.13 Favored Glycine 0 N--CA 1.442 -0.907 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.303 179.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.1 m -144.04 78.19 1.58 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.188 0.518 . . . . 0.0 109.65 -178.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.487 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 3.7 m -81.14 148.46 29.58 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.971 -176.109 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.411 ' HA ' ' HD2' ' A' ' 31' ' ' ARG . 4.1 tpt180 -85.62 111.46 20.09 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.021 -0.671 . . . . 0.0 110.037 174.248 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -101.19 159.08 15.55 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.57 ' HB3' HD21 ' A' ' 34' ' ' LEU . 32.8 t80 -47.1 -45.06 21.87 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -174.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.57 HD21 ' HB3' ' A' ' 33' ' ' PHE . 2.8 mm? -101.45 1.98 38.84 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -174.117 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.475 ' HA3' ' O ' ' A' ' 14' ' ' TRP . . . 165.88 -143.86 8.75 Favored Glycine 0 C--O 1.224 -0.531 0 C-N-CA 119.05 -1.547 . . . . 0.0 113.756 179.201 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.406 ' O ' ' HA ' ' A' ' 13' ' ' TYR . 6.5 m -113.16 120.77 42.4 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.793 0.33 . . . . 0.0 110.958 -174.468 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.487 ' HB2' ' HB2' ' A' ' 30' ' ' CYS . 1.3 m -79.68 95.11 5.85 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.634 177.513 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.446 ' HB3' ' CG ' ' A' ' 26' ' ' TYR . 58.8 m -82.62 97.27 8.41 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 176.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.443 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 2.0 p -111.5 110.18 55.61 Favored Pre-proline 0 C--N 1.322 -0.628 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 -168.724 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.44 ' HB3' ' O ' ' A' ' 25' ' ' GLY . 59.0 Cg_endo -97.97 -97.85 0.0 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.299 0 C-N-CA 122.935 2.423 . . . . 0.0 111.271 166.283 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -169.59 38.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 176.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.2 t70 . . . . . 0 C--O 1.247 0.97 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.791 -168.642 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.893 0 N-CA-C 111.695 -0.562 . . . . 0.0 111.695 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.1 p -79.38 78.06 5.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.429 0.633 . . . . 0.0 110.117 176.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.457 ' HA ' ' O ' ' A' ' 11' ' ' GLY . . . -71.45 142.32 50.24 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.051 -0.977 . . . . 0.0 112.519 -172.044 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.605 ' SG ' ' HB3' ' A' ' 13' ' ' TYR . 28.3 p -149.33 157.84 43.67 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 173.59 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.0 t -129.51 141.41 51.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.343 0.592 . . . . 0.0 111.559 -176.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 77.3 m -116.81 90.54 3.36 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.458 175.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.44 -100.65 0.49 Allowed Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.264 -178.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -91.04 -32.75 15.78 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.889 0.376 . . . . 0.0 110.5 177.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.9 m -79.22 143.75 35.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.679 -173.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.464 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 13.3 ptmm? -136.9 140.26 42.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.697 -0.229 . . . . 0.0 110.481 -178.403 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.457 ' O ' ' HA ' ' A' ' 3' ' ' ALA . . . -169.7 -140.16 2.91 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.142 -1.028 . . . . 0.0 112.795 -178.409 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.5 mm -125.96 134.91 65.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 -173.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.605 ' HB3' ' SG ' ' A' ' 4' ' ' CYS . 3.7 p90 -96.76 133.4 41.38 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 121.436 0.636 . . . . 0.0 110.083 175.723 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.481 ' O ' ' HA3' ' A' ' 35' ' ' GLY . 13.5 m95 -101.79 143.0 32.26 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.51 -175.483 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -79.31 108.56 12.91 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 120.828 0.347 . . . . 0.0 111.522 -174.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 53.38 67.57 0.98 Allowed 'General case' 0 C--O 1.252 1.212 0 CA-C-N 115.078 -0.965 . . . . 0.0 112.699 175.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -109.98 118.46 49.75 Favored Pre-proline 0 C--N 1.343 0.292 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.235 174.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.14 -17.78 33.59 Favored 'Trans proline' 0 C--O 1.251 1.157 0 C-N-CA 123.197 2.598 . . . . 0.0 112.824 -175.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.2 t -160.49 142.13 12.42 Favored 'General case' 0 N--CA 1.449 -0.521 0 O-C-N 124.158 0.911 . . . . 0.0 109.039 178.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.1 t -80.42 116.43 61.74 Favored Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 178.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.415 ' HB2' ' OD2' ' A' ' 23' ' ' ASP . 43.2 Cg_endo -71.02 122.75 9.07 Favored 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.54 2.16 . . . . 0.0 111.387 -178.581 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.9 t -81.51 56.04 2.83 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.963 0.887 . . . . 0.0 111.58 -172.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.415 ' OD2' ' HB2' ' A' ' 21' ' ' PRO . 18.4 m-20 -85.57 -45.35 11.84 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.25 177.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.533 ' HB2' ' CZ ' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -101.16 29.93 4.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.476 . . . . 0.0 112.094 -175.09 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 48.56 33.61 12.47 Favored Glycine 0 C--O 1.25 1.156 0 CA-C-O 119.835 -0.425 . . . . 0.0 113.87 174.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.533 ' CZ ' ' HB2' ' A' ' 24' ' ' ARG . 45.7 m-85 -47.65 134.96 12.07 Favored 'General case' 0 C--N 1.345 0.372 0 O-C-N 124.518 0.775 . . . . 0.0 110.976 176.548 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.5 m -88.69 -50.63 6.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.757 -175.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -118.57 119.24 4.29 Favored Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.402 -178.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.8 m -99.25 90.91 4.73 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 175.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.405 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 56.2 m -94.73 150.23 20.42 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.001 -177.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -84.34 99.16 10.44 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 120.203 -0.599 . . . . 0.0 109.637 176.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.664 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 33.1 t80 -80.26 161.43 25.14 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 177.526 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -48.82 -38.68 22.9 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -171.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -113.97 10.33 17.56 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -175.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.481 ' HA3' ' O ' ' A' ' 14' ' ' TRP . . . 165.07 -146.26 11.06 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 118.563 -1.78 . . . . 0.0 114.552 178.166 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.3 m -104.07 108.13 19.35 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 120.968 0.413 . . . . 0.0 111.435 -170.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.664 ' HB2' ' HB2' ' A' ' 32' ' ' TYR . 51.5 t -79.86 94.31 5.8 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.777 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.477 ' HB3' ' CG ' ' A' ' 26' ' ' TYR . 72.5 m -91.57 103.06 15.71 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.104 -178.247 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.415 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 71.2 p -116.86 109.24 43.33 Favored Pre-proline 0 C--N 1.329 -0.313 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -171.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.464 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 16.9 Cg_endo -93.13 -77.49 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.139 0 C-N-CA 122.438 2.092 . . . . 0.0 111.587 165.26 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.456 ' HA ' ' HG2' ' A' ' 10' ' ' LYS . . . -177.89 33.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 -178.423 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.4 t70 . . . . . 0 C--O 1.247 0.957 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.424 -172.46 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.57 0 N-CA-C 111.952 -0.459 . . . . 0.0 111.952 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.518 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 5.0 p -80.23 72.5 7.06 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.429 0.633 . . . . 0.0 110.805 178.593 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.96 141.35 57.64 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.397 -177.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 18.6 t -145.53 150.18 35.96 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.718 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.7 m -129.58 138.69 51.43 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.45 0.643 . . . . 0.0 111.698 -177.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 82.6 m -119.25 75.05 1.02 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.844 -1.071 . . . . 0.0 108.569 172.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.62 -101.09 0.36 Allowed Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.246 -177.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -79.61 -37.45 36.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.914 0.388 . . . . 0.0 110.344 178.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.0 t -79.69 137.61 37.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.88 -172.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.453 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 59.8 mttp -137.26 141.08 42.0 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.511 -0.181 . . . . 0.0 110.511 -176.152 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.445 ' HA2' ' HB3' ' A' ' 42' ' ' ASP . . . -178.14 -139.89 3.62 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.627 -0.797 . . . . 0.0 113.089 -177.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.3 mm -127.1 136.1 61.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.699 0.285 . . . . 0.0 110.629 -171.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.518 ' CE1' ' HB ' ' A' ' 2' ' ' THR . 18.5 p90 -100.74 142.55 32.05 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.092 -0.643 . . . . 0.0 109.979 176.115 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.446 ' O ' ' HA3' ' A' ' 35' ' ' GLY . 74.8 m95 -108.78 138.13 45.61 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.935 -175.384 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -77.09 118.38 19.58 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.132 0.491 . . . . 0.0 111.74 -173.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 52.11 31.53 9.07 Favored 'General case' 0 C--O 1.25 1.121 0 CA-C-N 114.715 -1.13 . . . . 0.0 113.84 173.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 74.2 mtt180 -96.79 100.64 7.65 Favored Pre-proline 0 C--N 1.341 0.235 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 167.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -65.09 -10.46 25.72 Favored 'Trans proline' 0 C--O 1.25 1.08 0 C-N-CA 122.732 2.288 . . . . 0.0 112.437 -176.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.2 t -117.16 115.1 24.68 Favored 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 124.087 0.867 . . . . 0.0 109.631 179.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.1 t -71.18 125.52 91.93 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-O 120.747 0.308 . . . . 0.0 110.571 179.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_exo -71.84 67.5 3.12 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.863 2.375 . . . . 0.0 111.441 176.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.6 t -76.99 8.28 3.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.812 0.815 . . . . 0.0 110.702 -175.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -78.38 -17.51 56.36 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.116 -0.947 . . . . 0.0 109.175 173.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.4 mtp180 -94.33 30.26 2.0 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.259 -178.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.63 -9.79 64.06 Favored Glycine 0 C--O 1.25 1.132 0 C-N-CA 120.998 -0.62 . . . . 0.0 114.04 172.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.458 ' HD1' ' HD3' ' A' ' 40' ' ' PRO . 30.5 m-85 -57.28 130.77 47.7 Favored 'General case' 0 C--N 1.346 0.437 0 O-C-N 123.743 0.319 . . . . 0.0 110.291 178.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.535 HG23 ' HA ' ' A' ' 40' ' ' PRO . 15.2 t -101.88 -33.81 9.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.14 0.495 . . . . 0.0 110.696 -174.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -110.55 150.4 17.66 Favored Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 111.69 -0.564 . . . . 0.0 111.69 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.4 m -134.95 82.73 1.98 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.335 0.588 . . . . 0.0 110.338 -177.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 11.3 m -92.26 164.83 13.39 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 -100.35 127.79 46.57 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 119.602 -0.839 . . . . 0.0 110.356 172.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -96.06 154.58 17.16 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 172.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.606 ' HB3' HD21 ' A' ' 34' ' ' LEU . 38.6 t80 -52.16 -30.63 27.69 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 118.627 0.649 . . . . 0.0 111.927 -174.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.606 HD21 ' HB3' ' A' ' 33' ' ' PHE . 2.6 mm? -108.11 0.48 21.66 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 112.481 0.548 . . . . 0.0 112.481 -173.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.446 ' HA3' ' O ' ' A' ' 14' ' ' TRP . . . 172.56 -156.3 24.85 Favored Glycine 0 C--O 1.224 -0.52 0 C-N-CA 119.621 -1.276 . . . . 0.0 113.117 178.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 73.8 m -100.04 122.83 43.52 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.228 0.537 . . . . 0.0 110.836 -178.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 44.7 t -87.37 99.95 12.37 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.089 -178.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.405 ' HB3' ' CG ' ' A' ' 26' ' ' TYR . 72.7 m -96.95 110.28 22.84 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.041 -178.61 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.437 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 21.6 p -121.14 120.87 28.96 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.371 -171.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.535 ' HA ' HG23 ' A' ' 27' ' ' THR . 54.0 Cg_endo -99.11 -94.55 0.0 OUTLIER 'Trans proline' 0 N--CA 1.443 -1.468 0 C-N-CA 122.894 2.396 . . . . 0.0 110.919 163.268 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -151.4 48.46 0.82 Allowed 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 173.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.445 ' HB3' ' HA2' ' A' ' 11' ' ' GLY . 17.0 t70 . . . . . 0 C--O 1.246 0.906 0 CA-C-O 118.443 -0.789 . . . . 0.0 110.178 -173.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.631 0 CA-C-O 120.205 -0.219 . . . . 0.0 112.746 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.552 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 6.6 p -79.93 93.84 5.76 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.565 0.698 . . . . 0.0 109.842 175.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.11 132.06 45.98 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 114.829 -1.078 . . . . 0.0 112.996 -167.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 43.4 t -138.64 153.75 48.62 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 114.823 -1.081 . . . . 0.0 108.959 171.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 m -142.88 134.83 27.0 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.03 0.443 . . . . 0.0 111.107 -178.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 61.7 m -129.43 81.94 2.05 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.364 177.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.64 -105.46 1.24 Allowed Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.555 178.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -87.97 -15.13 37.36 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.193 0.52 . . . . 0.0 110.345 -177.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.1 m -100.93 138.88 37.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.044 -177.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.494 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -124.48 147.04 48.61 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 178.14 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.481 ' HA2' ' O ' ' A' ' 42' ' ' ASP . . . -173.79 -150.63 7.69 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 119.44 -1.362 . . . . 0.0 114.169 -178.132 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 47.7 mm -123.82 138.41 53.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 114.921 -0.64 . . . . 0.0 110.292 -169.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.552 ' CE1' ' HB ' ' A' ' 2' ' ' THR . 12.2 p90 -104.89 140.54 37.99 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.444 177.286 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 26.7 m95 -102.24 139.76 37.42 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.827 -177.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -78.61 112.23 15.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.656 -172.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 51.7 p90 43.11 25.69 0.06 Allowed 'General case' 0 C--O 1.247 0.964 0 C-N-CA 124.879 1.272 . . . . 0.0 113.784 178.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.0 mtp85 -100.53 116.11 64.65 Favored Pre-proline 0 N--CA 1.45 -0.462 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.075 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -83.49 34.51 0.54 Allowed 'Trans proline' 0 C--O 1.25 1.076 0 C-N-CA 123.352 2.701 . . . . 0.0 111.269 174.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.4 p -136.33 97.16 3.52 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.428 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.6 t -106.51 108.48 61.91 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.541 178.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_endo -80.63 146.43 16.9 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 122.583 2.188 . . . . 0.0 113.012 -175.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.8 t -79.31 53.52 1.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 122.393 1.092 . . . . 0.0 109.456 177.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -102.03 -44.47 5.46 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.047 -0.979 . . . . 0.0 111.511 -176.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.437 ' HB2' ' CZ ' ' A' ' 26' ' ' TYR . 22.8 mmm180 -95.8 28.47 3.06 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.469 -173.566 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 55.18 25.2 38.82 Favored Glycine 0 C--O 1.248 1.0 0 C-N-CA 121.104 -0.569 . . . . 0.0 113.128 177.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.437 ' CZ ' ' HB2' ' A' ' 24' ' ' ARG . 34.7 m-85 -48.47 127.76 13.69 Favored 'General case' 0 C--N 1.348 0.501 0 O-C-N 124.49 0.759 . . . . 0.0 111.129 177.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.9 t -108.73 -20.14 13.18 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.002 0.429 . . . . 0.0 110.551 -177.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -139.96 168.09 25.17 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.961 -0.638 . . . . 0.0 111.923 179.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.0 t -142.22 137.31 30.67 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.068 0.461 . . . . 0.0 110.046 179.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 60.6 m -136.92 177.44 7.85 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.74 -178.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -102.57 133.79 46.97 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 176.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -119.48 154.54 33.61 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 177.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.57 ' HB2' HD22 ' A' ' 34' ' ' LEU . 40.4 m-85 -45.04 -44.15 9.92 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -175.032 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.57 HD22 ' HB2' ' A' ' 33' ' ' PHE . 2.6 mm? -94.65 -10.38 32.02 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 -173.591 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.43 -133.97 3.06 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 119.176 -1.488 . . . . 0.0 113.714 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 17.7 m -95.48 136.54 35.73 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.616 0.246 . . . . 0.0 110.629 -171.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 18.1 t -106.44 129.25 54.45 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 120.832 0.349 . . . . 0.0 110.094 176.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 81.5 m -124.18 118.29 26.53 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.473 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 3.2 p -121.51 116.55 30.62 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 113.08 0.771 . . . . 0.0 113.08 -172.053 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.494 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 72.7 Cg_endo -98.79 -102.0 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 123.309 2.673 . . . . 0.0 110.852 162.682 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -135.58 5.46 3.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.237 0.541 . . . . 0.0 110.331 172.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.481 ' O ' ' HA2' ' A' ' 11' ' ' GLY . 11.3 m-20 . . . . . 0 C--O 1.243 0.721 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.248 -174.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.711 0 N-CA-C 111.506 -0.638 . . . . 0.0 111.506 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.1 p -79.71 52.22 1.41 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.33 0.586 . . . . 0.0 110.854 -177.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -89.26 143.96 26.45 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.653 -177.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.6 p -138.96 152.89 48.06 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.635 178.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m -118.5 135.62 54.28 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.998 0.428 . . . . 0.0 110.949 -177.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 95.4 m -129.68 79.95 1.93 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.037 177.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.53 -105.45 1.6 Allowed Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.477 177.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -93.79 -10.36 34.44 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.839 0.352 . . . . 0.0 110.728 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.9 m -105.79 125.05 50.53 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.568 -175.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.565 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 37.6 tttm -114.84 138.77 50.38 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 176.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.443 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -165.59 -147.56 5.2 Favored Glycine 0 N--CA 1.442 -0.903 0 C-N-CA 120.304 -0.95 . . . . 0.0 112.773 -179.237 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.6 mm -129.15 136.87 58.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 -171.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.567 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 9.7 p90 -91.82 135.34 33.99 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 120.041 -0.664 . . . . 0.0 109.235 175.338 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.592 ' HB3' ' HG3' ' A' ' 17' ' ' ARG . 38.7 m95 -110.77 142.74 42.33 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.395 -0.821 . . . . 0.0 109.866 -176.2 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -79.46 112.89 17.15 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.87 -178.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 57.85 61.52 2.37 Favored 'General case' 0 C--O 1.249 1.049 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.71 173.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.592 ' HG3' ' HB3' ' A' ' 14' ' ' TRP . 16.9 mmt180 -121.3 109.98 34.62 Favored Pre-proline 0 C--N 1.347 0.493 0 O-C-N 123.272 0.358 . . . . 0.0 110.426 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -71.18 -1.87 10.26 Favored 'Trans proline' 0 C--O 1.25 1.124 0 C-N-CA 123.177 2.585 . . . . 0.0 113.097 -176.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.2 m -154.32 141.1 19.09 Favored 'General case' 0 C--N 1.342 0.279 0 O-C-N 123.627 0.58 . . . . 0.0 110.301 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 98.9 m -89.8 127.17 55.15 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.302 178.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -47.11 109.88 0.25 Allowed 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 123.181 2.587 . . . . 0.0 112.426 177.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.7 t -79.23 -9.13 59.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.773 -174.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.6 p-10 -79.98 -25.1 40.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.807 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 44.7 mtp85 -92.29 -1.89 56.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.199 0.523 . . . . 0.0 109.776 172.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.461 ' O ' ' HB3' ' A' ' 40' ' ' PRO . . . 73.18 27.14 68.89 Favored Glycine 0 C--O 1.247 0.938 0 CA-C-N 115.415 -0.811 . . . . 0.0 113.89 174.079 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.567 ' HD1' ' HD3' ' A' ' 40' ' ' PRO . 64.3 m-85 -56.94 120.55 8.15 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 177.565 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.9 m -96.06 -40.89 9.01 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.013 0.435 . . . . 0.0 111.22 -170.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -109.99 159.66 13.81 Favored Glycine 0 N--CA 1.443 -0.85 0 C-N-CA 121.036 -0.602 . . . . 0.0 112.245 -176.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.6 m -135.88 92.41 2.81 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.128 0.489 . . . . 0.0 109.896 178.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.448 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 36.4 m -92.33 138.06 31.84 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 178.488 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.79 96.65 6.35 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.372 0.606 . . . . 0.0 109.837 -178.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.52 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 33.9 t80 -84.4 150.53 25.27 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.167 -178.612 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.474 ' HB3' HD21 ' A' ' 34' ' ' LEU . 33.5 t80 -47.51 -43.06 24.37 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.774 0.321 . . . . 0.0 111.636 -174.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.474 HD21 ' HB3' ' A' ' 33' ' ' PHE . 2.4 mm? -95.56 -7.23 38.47 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 -174.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 167.3 -148.28 12.9 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 119.13 -1.51 . . . . 0.0 114.031 178.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.1 m -95.34 107.68 19.82 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.337 -0.431 . . . . 0.0 110.929 -173.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.567 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 27.5 t -79.89 95.98 6.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.192 0.52 . . . . 0.0 109.898 178.275 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.406 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 63.7 m -91.41 114.95 27.61 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.765 -178.181 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.443 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 2.2 p -121.65 114.29 31.46 Favored Pre-proline 0 C--N 1.322 -0.592 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -172.32 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.567 ' HD3' ' HD1' ' A' ' 26' ' ' TYR . 74.2 Cg_endo -102.87 -100.84 0.0 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.28 0 C-N-CA 123.293 2.662 . . . . 0.0 111.423 164.439 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -147.35 38.78 0.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 175.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 33.0 t70 . . . . . 0 C--O 1.245 0.829 0 CA-C-N 114.356 -1.293 . . . . 0.0 110.056 -170.533 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.747 0 N-CA-C 111.781 -0.527 . . . . 0.0 111.781 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.456 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 24.8 p -81.9 59.87 4.5 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.505 0.669 . . . . 0.0 110.732 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.43 116.79 19.87 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.076 -0.966 . . . . 0.0 111.137 -177.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.401 ' SG ' ' HB3' ' A' ' 13' ' ' TYR . 6.1 p -117.52 167.73 11.03 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.933 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 p -138.49 127.4 23.84 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.277 0.561 . . . . 0.0 112.205 -177.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 72.4 m -106.77 90.88 3.45 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 172.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.97 -102.63 1.09 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.708 -0.758 . . . . 0.0 111.724 -177.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -107.68 -0.88 21.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.862 0.363 . . . . 0.0 110.48 178.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.9 m -93.24 122.91 36.11 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.195 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.42 126.86 54.75 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.573 ' CA ' ' HD2' ' A' ' 40' ' ' PRO . . . -152.13 -155.81 7.21 Favored Glycine 0 N--CA 1.443 -0.862 0 C-N-CA 120.308 -0.948 . . . . 0.0 113.22 -176.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.7 mm -125.38 132.6 70.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -172.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.484 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 19.5 p90 -102.6 140.28 37.09 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 119.966 -0.694 . . . . 0.0 110.846 178.093 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.483 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 57.3 m95 -104.64 142.15 35.17 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.616 -177.484 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -78.62 124.74 28.49 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -170.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 45.1 p90 45.38 25.42 0.22 Allowed 'General case' 0 C--O 1.25 1.115 0 C-N-CA 125.321 1.448 . . . . 0.0 114.271 177.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.483 ' HD2' ' HB3' ' A' ' 14' ' ' TRP . 55.5 mtt180 -89.58 117.1 67.86 Favored Pre-proline 0 C--N 1.342 0.246 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 175.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -82.69 27.02 0.62 Allowed 'Trans proline' 0 C--O 1.25 1.124 0 C-N-CA 122.978 2.452 . . . . 0.0 112.754 -176.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.6 t -159.01 153.98 25.03 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 178.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.6 t -108.38 115.64 57.72 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-O 120.705 0.288 . . . . 0.0 110.228 -178.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -77.87 81.14 2.77 Favored 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 122.839 2.359 . . . . 0.0 110.836 178.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.0 t -97.28 86.01 3.81 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 122.321 1.057 . . . . 0.0 112.506 -173.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -116.26 0.83 12.99 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 164.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -95.61 -11.74 26.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.315 -1.311 . . . . 0.0 110.629 -176.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.95 52.74 1.88 Allowed Glycine 0 C--O 1.247 0.96 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.758 -177.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.576 ' CG ' ' HB3' ' A' ' 38' ' ' CYS . 30.6 m-85 -88.3 115.73 26.0 Favored 'General case' 0 C--N 1.343 0.292 0 O-C-N 123.822 0.366 . . . . 0.0 110.136 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.3 m -82.0 -46.0 14.57 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.111 0.481 . . . . 0.0 110.258 -176.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -112.39 160.69 13.02 Favored Glycine 0 N--CA 1.442 -0.902 0 C-N-CA 120.653 -0.785 . . . . 0.0 112.147 -179.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.0 m -144.61 81.53 1.66 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.47 0.652 . . . . 0.0 110.024 176.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.441 ' O ' ' HB3' ' A' ' 37' ' ' CYS . 2.0 m -97.07 142.6 28.81 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 -177.61 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -79.73 120.87 24.62 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 118.708 -1.197 . . . . 0.0 110.805 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.426 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 15.7 t80 -90.69 164.25 14.21 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.848 -1.069 . . . . 0.0 108.214 175.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -44.88 -38.79 4.86 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -174.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -114.48 11.87 17.25 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.932 0.715 . . . . 0.0 112.932 -173.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.458 ' HA3' ' O ' ' A' ' 14' ' ' TRP . . . 164.25 -163.23 35.92 Favored Glycine 0 C--O 1.223 -0.555 0 C-N-CA 119.194 -1.479 . . . . 0.0 113.329 178.273 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 63.8 m -95.21 117.8 30.88 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.076 0.465 . . . . 0.0 110.808 -176.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.484 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 32.4 t -87.15 105.97 17.56 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.721 -178.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.576 ' HB3' ' CG ' ' A' ' 26' ' ' TYR . 80.2 m -90.48 111.41 22.67 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.112 177.478 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.494 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 0.5 OUTLIER -110.0 113.94 56.61 Favored Pre-proline 0 N--CA 1.447 -0.619 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 -171.779 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.573 ' HD2' ' CA ' ' A' ' 11' ' ' GLY . 90.0 Cg_endo -90.71 -150.86 0.04 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.282 0 C-N-CA 122.995 2.463 . . . . 0.0 109.297 159.071 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -130.41 70.39 1.45 Allowed 'General case' 0 C--N 1.313 -0.992 0 CA-C-O 120.769 0.318 . . . . 0.0 110.42 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 35.9 t70 . . . . . 0 C--O 1.247 0.959 0 CA-C-O 118.706 -0.664 . . . . 0.0 110.3 178.029 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.713 0 N-CA-C 111.917 -0.473 . . . . 0.0 111.917 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.46 ' HB ' ' CE2' ' A' ' 13' ' ' TYR . 30.3 p -84.41 60.37 5.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.457 0.646 . . . . 0.0 110.265 178.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -80.99 130.23 34.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.639 -174.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 14.1 p -129.21 154.36 46.85 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.578 176.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 p -137.12 126.22 24.48 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.42 0.629 . . . . 0.0 112.199 -177.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 58.8 m -111.47 96.63 6.22 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.113 -0.949 . . . . 0.0 108.878 174.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.66 -113.75 5.24 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.609 -177.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.3 p-10 -95.51 -10.8 28.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.005 0.431 . . . . 0.0 110.168 177.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.3 m -88.87 110.07 20.75 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.884 -176.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.519 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 17.3 ptpt -122.1 129.41 52.34 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.984 0.421 . . . . 0.0 111.126 -177.028 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -157.48 -140.02 2.84 Favored Glycine 0 N--CA 1.441 -0.974 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.304 -177.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.2 mm -127.78 136.79 59.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 -173.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.528 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 7.0 p90 -96.52 132.05 42.51 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 119.771 -0.772 . . . . 0.0 109.459 173.388 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.65 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 46.5 m95 -107.24 145.48 32.62 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.274 -175.627 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -77.75 108.51 11.02 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.785 0.326 . . . . 0.0 111.123 -173.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 51.99 60.24 3.98 Favored 'General case' 0 C--O 1.246 0.918 0 CA-C-N 115.085 -0.961 . . . . 0.0 112.012 175.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.65 ' HD2' ' HB3' ' A' ' 14' ' ' TRP . 65.4 mtt85 -130.75 89.1 44.32 Favored Pre-proline 0 C--N 1.343 0.304 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.186 -178.42 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_exo -72.26 3.08 4.35 Favored 'Trans proline' 0 C--O 1.248 1.02 0 C-N-CA 123.071 2.514 . . . . 0.0 111.606 176.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.7 m -107.2 81.95 1.61 Allowed 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.279 173.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 49.6 t -78.66 117.04 64.22 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.445 -179.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo -64.47 124.37 13.2 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 123.008 2.472 . . . . 0.0 112.762 -174.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.57 25.39 0.33 Allowed 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.678 0.752 . . . . 0.0 111.097 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -94.61 -26.15 16.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.91 -177.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.472 ' HB2' ' CE2' ' A' ' 26' ' ' TYR . 22.5 mmm180 -99.79 17.09 21.6 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.009 -0.541 . . . . 0.0 112.209 -170.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 56.08 23.87 41.09 Favored Glycine 0 C--O 1.251 1.175 0 C-N-CA 121.243 -0.503 . . . . 0.0 113.613 175.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.472 ' CE2' ' HB2' ' A' ' 24' ' ' ARG . 43.0 m-85 -47.99 127.17 11.83 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 124.273 0.631 . . . . 0.0 111.416 179.648 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.45 ' H ' ' HA ' ' A' ' 40' ' ' PRO . 27.2 m -88.83 -37.73 15.15 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.383 -177.322 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -139.92 174.79 22.22 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.057 178.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.2 t -141.74 111.41 6.59 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.344 0.592 . . . . 0.0 109.773 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 56.5 m -105.25 144.57 31.86 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.55 -178.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.7 tpt180 -80.54 114.75 19.66 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.056 -0.657 . . . . 0.0 110.295 176.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -98.87 150.46 21.87 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 174.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -59.61 -15.06 16.21 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -173.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -111.69 -9.25 14.14 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.42 ' HA3' ' O ' ' A' ' 14' ' ' TRP . . . 166.11 -145.91 10.5 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 119.593 -1.289 . . . . 0.0 113.941 179.094 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.8 m -100.13 109.75 22.03 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.742 0.306 . . . . 0.0 110.95 -172.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.528 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 19.9 t -84.1 90.81 7.53 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.267 0.556 . . . . 0.0 109.844 178.614 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.43 ' HB3' ' CG ' ' A' ' 26' ' ' TYR . 97.2 m -87.33 115.74 24.95 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.641 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.5 p -123.01 112.59 30.24 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 112.864 0.69 . . . . 0.0 112.864 -170.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.519 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 31.5 Cg_endo -94.75 -83.51 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 122.736 2.291 . . . . 0.0 111.874 165.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.419 ' HA ' ' HG2' ' A' ' 10' ' ' LYS . . . 169.34 35.71 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 124.268 1.027 . . . . 0.0 108.519 -176.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.7 t70 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.58 -0.724 . . . . 0.0 110.419 -169.516 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.612 0 N-CA-C 112.013 -0.435 . . . . 0.0 112.013 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.562 ' HB ' ' CE2' ' A' ' 13' ' ' TYR . 14.7 p -82.24 76.34 9.13 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.344 0.593 . . . . 0.0 110.91 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.93 141.64 58.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.614 -175.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 41.3 t -147.0 157.31 43.58 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.383 -179.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 p -142.09 136.21 29.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.83 0.348 . . . . 0.0 111.556 -174.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 92.3 m -137.16 96.68 3.33 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.313 176.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.2 -112.02 3.73 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.877 -0.678 . . . . 0.0 111.834 178.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.8 p-10 -94.69 -13.07 26.14 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.18 0.514 . . . . 0.0 109.862 176.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.9 m -84.88 134.36 34.28 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.612 -173.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.536 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 19.7 ptpt -127.27 130.62 49.91 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.686 178.424 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.432 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -164.86 -141.52 3.15 Favored Glycine 0 N--CA 1.443 -0.851 0 C-N-CA 119.652 -1.261 . . . . 0.0 113.299 -176.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.4 mm -129.73 139.16 52.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -172.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.597 ' HE1' ' HB2' ' A' ' 34' ' ' LEU . 13.1 p90 -99.0 135.04 40.97 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 119.904 -0.718 . . . . 0.0 109.678 175.561 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 11.6 m95 -100.38 148.93 24.17 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.091 -0.959 . . . . 0.0 108.822 -176.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -79.3 84.33 5.24 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.271 0.557 . . . . 0.0 111.388 -174.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.615 ' H ' ' HA3' ' A' ' 35' ' ' GLY . 58.2 m-85 56.83 81.32 0.14 Allowed 'General case' 0 C--O 1.248 1.012 0 CA-C-N 114.714 -1.13 . . . . 0.0 111.887 178.39 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 12.3 mtp180 -144.83 93.76 5.56 Favored Pre-proline 0 N--CA 1.451 -0.391 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.232 179.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -61.84 -12.82 27.36 Favored 'Trans proline' 0 C--O 1.251 1.169 0 C-N-CA 122.417 2.078 . . . . 0.0 111.461 174.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.6 m -99.96 65.99 1.33 Allowed 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 114.781 -1.099 . . . . 0.0 109.39 178.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.9 t -92.51 117.2 67.52 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.643 -179.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -64.79 105.12 0.61 Allowed 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 123.127 2.551 . . . . 0.0 112.112 -174.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.2 p -77.96 8.98 3.98 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -173.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -76.67 -4.78 44.96 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.33 -176.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -90.37 2.57 55.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.095 173.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.67 41.59 23.77 Favored Glycine 0 C--O 1.247 0.948 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.349 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -68.57 121.47 16.48 Favored 'General case' 0 C--N 1.346 0.442 0 O-C-N 124.039 0.494 . . . . 0.0 110.859 -177.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 85.0 m -93.13 -45.2 7.99 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.91 -177.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -112.31 137.61 14.38 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.392 -177.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.6 t -124.79 106.66 10.21 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 177.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 20.6 m -120.29 168.53 11.16 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.044 -178.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.5 ttt180 -96.75 132.82 42.06 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 119.707 -0.797 . . . . 0.0 109.456 169.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -106.27 160.49 15.32 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 171.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.547 ' HB3' HD21 ' A' ' 34' ' ' LEU . 48.1 t80 -51.11 -32.4 22.54 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 118.113 0.415 . . . . 0.0 111.768 -176.251 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.597 ' HB2' ' HE1' ' A' ' 13' ' ' TYR . 2.3 mm? -106.32 1.99 26.29 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -174.589 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.615 ' HA3' ' H ' ' A' ' 16' ' ' TYR . . . 162.02 -138.42 5.39 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 118.969 -1.586 . . . . 0.0 114.805 175.609 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 47.6 m -104.31 114.86 29.38 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 122.838 0.455 . . . . 0.0 110.893 -172.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 43.3 t -83.73 106.96 15.85 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.609 -178.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 74.7 m -103.97 109.68 21.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.092 0.472 . . . . 0.0 109.814 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.432 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 21.6 p -120.19 112.42 34.63 Favored Pre-proline 0 C--N 1.322 -0.604 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -173.225 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.536 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 36.7 Cg_endo -91.8 -87.4 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 122.395 2.063 . . . . 0.0 111.715 168.058 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -179.4 34.81 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 -176.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.1 t70 . . . . . 0 C--O 1.252 1.202 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.235 -173.931 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.753 0 N-CA-C 111.974 -0.451 . . . . 0.0 111.974 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.545 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 7.7 p -79.54 75.59 6.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.368 0.604 . . . . 0.0 110.636 179.337 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' A' ' 11' ' ' GLY . . . -77.9 141.7 38.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.852 -173.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.479 ' SG ' ' HB3' ' A' ' 13' ' ' TYR . 26.8 p -140.57 166.19 25.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.498 177.147 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.3 m -130.07 140.12 50.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.005 0.431 . . . . 0.0 111.916 -176.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 86.6 m -123.07 79.48 1.67 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.59 173.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.5 -94.48 0.23 Allowed Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.685 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -95.4 -27.6 15.35 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.951 0.405 . . . . 0.0 110.536 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.9 m -84.28 141.04 31.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.387 -177.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.457 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 50.3 mtmt -136.49 134.08 37.23 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -179.424 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.502 ' HA3' ' HD2' ' A' ' 40' ' ' PRO . . . -167.86 -136.67 2.09 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.487 -0.864 . . . . 0.0 113.004 -178.197 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.8 mm -128.25 137.52 57.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 122.439 0.296 . . . . 0.0 110.331 -171.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.604 ' HE2' ' HB2' ' A' ' 34' ' ' LEU . 8.4 p90 -99.91 138.6 36.76 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.314 0.578 . . . . 0.0 110.055 176.418 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.425 ' O ' ' HA3' ' A' ' 35' ' ' GLY . 33.6 m95 -102.27 156.46 17.56 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.821 -178.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -90.31 111.82 23.16 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.811 -179.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 49.35 80.27 0.07 Allowed 'General case' 0 C--O 1.253 1.248 0 O-C-N 124.208 0.942 . . . . 0.0 113.131 176.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -126.1 113.26 24.03 Favored Pre-proline 0 C--N 1.345 0.37 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.595 177.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -60.14 -12.57 20.01 Favored 'Trans proline' 0 C--O 1.251 1.137 0 C-N-CA 123.238 2.625 . . . . 0.0 112.861 -177.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.6 p -148.67 149.63 31.82 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.548 177.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.7 t -82.96 115.49 59.07 Favored Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 178.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -64.91 131.61 29.57 Favored 'Trans proline' 0 N--CA 1.464 -0.237 0 C-N-CA 122.784 2.323 . . . . 0.0 112.014 -177.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.9 m -79.29 55.72 1.94 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.301 0.572 . . . . 0.0 110.368 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -86.22 -67.48 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.782 -176.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.2 mtt180 -88.21 21.2 2.89 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.262 179.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 55.73 29.8 55.18 Favored Glycine 0 C--O 1.248 0.986 0 C-N-CA 120.414 -0.898 . . . . 0.0 111.9 -177.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.665 ' HD1' ' HD3' ' A' ' 40' ' ' PRO . 57.6 m-85 -38.33 138.9 0.42 Allowed 'General case' 0 C--N 1.348 0.54 0 O-C-N 125.024 1.073 . . . . 0.0 111.996 176.649 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.1 m -97.53 -49.29 4.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.967 -177.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.92 140.84 15.26 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 121.009 -0.615 . . . . 0.0 111.872 179.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.5 m -126.12 92.55 3.6 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.927 0.394 . . . . 0.0 110.48 178.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.0 m -106.04 163.44 12.76 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.4 ttt180 -96.03 134.54 38.94 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.516 -0.874 . . . . 0.0 109.748 171.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.532 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 13.2 t80 -107.51 164.1 12.5 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 173.684 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.469 ' HB2' HD21 ' A' ' 34' ' ' LEU . 97.6 m-85 -50.27 -35.79 28.67 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -175.594 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.604 ' HB2' ' HE2' ' A' ' 13' ' ' TYR . 2.4 mm? -100.47 -4.8 28.09 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -173.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.425 ' HA3' ' O ' ' A' ' 14' ' ' TRP . . . 163.96 -130.69 2.26 Favored Glycine 0 C--O 1.223 -0.584 0 C-N-CA 119.246 -1.454 . . . . 0.0 113.622 179.363 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.3 m -111.01 112.42 24.22 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.797 0.332 . . . . 0.0 111.32 -170.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.532 ' HB2' ' HB2' ' A' ' 32' ' ' TYR . 37.9 t -84.89 98.35 10.28 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.19 0.519 . . . . 0.0 109.891 -179.667 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.539 ' HB3' ' CG ' ' A' ' 26' ' ' TYR . 84.5 m -97.53 114.93 26.92 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.778 -178.69 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.439 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 20.5 p -120.3 116.07 32.5 Favored Pre-proline 0 C--N 1.319 -0.76 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -170.316 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.665 ' HD3' ' HD1' ' A' ' 26' ' ' TYR . 53.6 Cg_endo -84.25 -98.33 0.0 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.065 0 C-N-CA 121.845 1.697 . . . . 0.0 110.82 165.476 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -158.26 29.73 0.25 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.322 -0.236 . . . . 0.0 111.209 177.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.8 t70 . . . . . 0 C--O 1.246 0.889 0 CA-C-O 118.043 -0.979 . . . . 0.0 110.909 -175.48 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.779 0 N-CA-C 111.903 -0.479 . . . . 0.0 111.903 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.3 p -83.41 59.61 5.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.344 0.592 . . . . 0.0 110.922 -178.633 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.515 ' HA ' ' O ' ' A' ' 11' ' ' GLY . . . -84.19 129.72 34.88 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.575 -174.868 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 14.1 p -120.34 143.9 48.14 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.138 174.703 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.4 m -119.5 127.79 53.36 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.418 0.628 . . . . 0.0 111.665 -176.226 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 62.6 m -116.31 80.12 1.41 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.092 -0.958 . . . . 0.0 108.977 175.808 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.75 -101.07 0.67 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.727 -176.897 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -91.07 -25.09 19.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.148 0.499 . . . . 0.0 110.282 178.237 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.7 m -78.77 134.41 37.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.412 -174.471 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -132.73 125.62 30.61 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 -178.547 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.559 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -158.22 -149.0 5.34 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 119.56 -1.305 . . . . 0.0 113.53 -177.477 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.0 mm -122.24 130.68 74.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.769 -0.216 . . . . 0.0 110.49 -172.106 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.486 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 8.7 p90 -95.97 139.57 31.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.351 0.596 . . . . 0.0 109.876 177.403 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.478 ' O ' ' HA3' ' A' ' 35' ' ' GLY . 28.7 m95 -107.62 149.2 28.35 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.179 -0.918 . . . . 0.0 108.831 -179.061 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -78.74 92.56 4.81 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.265 0.555 . . . . 0.0 111.473 -174.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.614 ' H ' ' HA3' ' A' ' 35' ' ' GLY . 61.6 m-85 58.52 73.75 0.46 Allowed 'General case' 0 C--O 1.251 1.17 0 CA-C-N 114.85 -1.068 . . . . 0.0 111.918 175.87 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -113.84 108.42 51.26 Favored Pre-proline 0 C--N 1.344 0.368 0 CA-C-N 114.803 -1.089 . . . . 0.0 110.434 178.268 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -64.17 -11.32 27.13 Favored 'Trans proline' 0 C--O 1.248 0.99 0 C-N-CA 122.87 2.38 . . . . 0.0 112.192 179.285 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.1 m -131.7 121.72 24.72 Favored 'General case' 0 N--CA 1.448 -0.55 0 O-C-N 124.167 0.917 . . . . 0.0 110.108 -177.699 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.4 t -101.21 123.03 46.32 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.82 178.683 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -69.69 84.72 0.63 Allowed 'Trans proline' 0 N--CA 1.464 -0.226 0 C-N-CA 122.784 2.323 . . . . 0.0 111.707 179.496 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.7 t -76.79 -14.13 59.95 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.423 0.63 . . . . 0.0 109.628 -174.481 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -77.68 -10.5 59.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.819 -1.082 . . . . 0.0 109.57 177.188 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.4 tpt180 -78.52 -10.6 59.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.835 177.794 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.7 30.89 4.72 Favored Glycine 0 C--O 1.246 0.906 0 C-N-CA 120.845 -0.693 . . . . 0.0 113.006 177.186 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.492 ' CD2' ' HB3' ' A' ' 38' ' ' CYS . 31.7 m-85 -90.57 137.66 32.18 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-O 120.868 0.366 . . . . 0.0 110.095 -179.742 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.1 m -91.08 -28.1 18.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.736 -174.455 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -155.42 163.92 31.79 Favored Glycine 0 N--CA 1.442 -0.924 0 C-N-CA 120.965 -0.636 . . . . 0.0 111.944 177.907 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.8 t -129.05 125.61 37.64 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 176.75 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 31.6 m -116.87 156.57 27.1 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.555 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.408 ' HD3' ' C ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -86.96 128.6 35.07 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 176.565 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.443 ' HD2' ' H ' ' A' ' 34' ' ' LEU . 22.8 t80 -115.92 150.04 37.75 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.9 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -52.51 -39.1 60.93 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.922 0.391 . . . . 0.0 111.193 -177.36 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.443 ' H ' ' HD2' ' A' ' 32' ' ' TYR . 2.4 mm? -94.82 -0.53 54.05 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -176.538 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.614 ' HA3' ' H ' ' A' ' 16' ' ' TYR . . . 160.82 -136.74 4.61 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 119.381 -1.39 . . . . 0.0 114.564 174.406 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.4 m -112.76 118.58 35.37 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 120.715 0.293 . . . . 0.0 110.399 -173.761 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.486 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 23.3 t -86.23 104.67 15.99 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 120.976 0.417 . . . . 0.0 110.319 -178.842 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.492 ' HB3' ' CD2' ' A' ' 26' ' ' TYR . 84.3 m -97.58 109.16 21.97 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 177.006 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.559 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 0.8 OUTLIER -131.93 128.23 21.45 Favored Pre-proline 0 N--CA 1.446 -0.65 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -168.004 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -99.39 -85.84 0.0 OUTLIER 'Trans proline' 0 N--CA 1.443 -1.456 0 C-N-CA 123.57 2.846 . . . . 0.0 111.862 164.858 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -175.17 73.96 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.849 -1.068 . . . . 0.0 108.895 -174.753 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.4 t70 . . . . . 0 C--O 1.247 0.934 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.342 -178.211 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.6 0 N-CA-C 111.596 -0.601 . . . . 0.0 111.596 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.4 p -85.58 76.32 10.03 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.332 0.587 . . . . 0.0 110.698 -178.589 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.88 151.23 31.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.408 -175.596 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 49.4 t -149.73 148.75 29.61 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.797 178.72 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.4 m -125.92 123.83 39.47 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.49 0.662 . . . . 0.0 111.5 -179.317 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 71.5 m -112.8 73.53 0.82 Allowed 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 115.145 -0.934 . . . . 0.0 108.52 173.208 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.62 -112.57 5.11 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.574 -175.216 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -81.17 -23.04 38.48 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.014 0.435 . . . . 0.0 110.235 179.165 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.3 m -84.23 105.14 14.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.285 -178.583 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -116.76 136.6 52.83 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 122.262 -0.274 . . . . 0.0 110.618 -178.833 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.442 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -173.31 -137.88 2.5 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.654 -177.628 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.5 mm -122.01 133.39 68.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.677 0.275 . . . . 0.0 110.686 -171.609 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.574 ' HE2' ' HB2' ' A' ' 34' ' ' LEU . 7.7 p90 -97.45 137.28 36.66 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 120.059 -0.657 . . . . 0.0 109.873 177.098 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.413 ' O ' ' HA3' ' A' ' 35' ' ' GLY . 7.6 m95 -100.52 159.1 15.42 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 -179.585 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -82.2 -159.34 0.3 Allowed 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 177.353 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -60.02 87.69 0.01 OUTLIER 'General case' 0 C--O 1.25 1.088 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 -177.925 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 62.2 mtp85 -146.04 98.9 4.35 Favored Pre-proline 0 C--N 1.343 0.309 0 CA-C-N 114.33 -1.305 . . . . 0.0 108.202 174.216 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_endo -61.19 -14.12 32.05 Favored 'Trans proline' 0 C--O 1.25 1.096 0 C-N-CA 122.993 2.462 . . . . 0.0 113.692 -172.559 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.1 m -114.85 88.98 2.99 Favored 'General case' 0 N--CA 1.451 -0.419 0 O-C-N 123.57 0.544 . . . . 0.0 111.308 -178.021 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 40.4 t -86.96 135.62 35.05 Favored Pre-proline 0 C--N 1.325 -0.464 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 172.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo -73.54 79.64 2.14 Favored 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.812 2.342 . . . . 0.0 111.104 178.543 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.635 ' HA ' ' HD2' ' A' ' 26' ' ' TYR . 3.2 p -78.61 14.78 1.18 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -172.261 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -100.35 21.85 12.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.422 0.629 . . . . 0.0 109.586 176.283 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 53.8 mtp85 -112.87 37.55 3.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.926 -178.231 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 87.23 -16.46 48.25 Favored Glycine 0 C--O 1.249 1.081 0 C-N-CA 120.877 -0.677 . . . . 0.0 112.626 177.859 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.635 ' HD2' ' HA ' ' A' ' 22' ' ' THR . 23.9 m-85 -50.32 119.68 3.91 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 124.555 0.797 . . . . 0.0 111.07 -177.513 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.0 m -95.09 -31.36 13.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.594 -176.767 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -127.96 146.43 16.67 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.801 179.15 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.449 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 7.6 t -129.22 92.21 3.33 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 175.247 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.3 m -103.71 159.69 15.41 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.519 -173.595 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.448 ' HD2' ' O ' ' A' ' 35' ' ' GLY . 10.2 tpt180 -85.52 131.81 34.3 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 174.884 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.519 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 8.4 t80 -117.83 159.81 22.45 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 175.161 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.444 ' HB2' HD21 ' A' ' 34' ' ' LEU . 74.2 m-85 -53.9 -28.97 39.78 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 112.268 0.469 . . . . 0.0 112.268 -175.592 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.574 ' HB2' ' HE2' ' A' ' 13' ' ' TYR . 2.1 mm? -109.28 -3.68 17.01 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.2 0.445 . . . . 0.0 112.2 -176.024 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.448 ' O ' ' HD2' ' A' ' 31' ' ' ARG . . . 168.87 -131.37 2.28 Favored Glycine 0 C--O 1.227 -0.338 0 C-N-CA 119.411 -1.376 . . . . 0.0 113.632 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 87.8 m -127.86 123.49 35.21 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.051 0.453 . . . . 0.0 111.364 -174.532 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.519 ' SG ' ' HB2' ' A' ' 32' ' ' TYR . 99.7 m -79.38 108.77 13.15 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.974 179.53 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 55.9 m -96.62 97.95 9.8 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 173.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.442 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 38.7 p -121.14 112.75 33.02 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.78 -167.283 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -96.62 -86.71 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.111 0 C-N-CA 122.945 2.43 . . . . 0.0 111.83 169.034 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -169.56 32.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.729 -1.212 . . . . 0.0 107.729 175.872 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.4 t70 . . . . . 0 C--O 1.252 1.231 0 CA-C-N 114.72 -1.127 . . . . 0.0 109.578 -169.904 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.625 0 N-CA-C 111.776 -0.53 . . . . 0.0 111.776 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.4 p -82.87 68.81 9.51 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.138 0.494 . . . . 0.0 111.114 179.916 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.98 148.02 52.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.199 -179.194 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.478 ' HB2' ' HB3' ' A' ' 13' ' ' TYR . 49.4 t -141.36 154.59 45.74 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.212 -179.4 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.9 m -131.28 134.06 46.01 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.134 0.492 . . . . 0.0 111.058 -178.825 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.42 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 68.8 m -120.96 78.0 1.35 Allowed 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 173.276 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.95 -114.68 7.06 Favored Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 111.398 -0.681 . . . . 0.0 111.398 -173.584 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -81.04 -20.78 40.93 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.461 0.172 . . . . 0.0 110.984 178.724 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.42 ' HB2' ' HB2' ' A' ' 6' ' ' CYS . 19.8 m -78.69 122.43 25.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.953 0.406 . . . . 0.0 109.994 -179.139 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.516 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 46.0 mmtm -115.67 142.25 46.99 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -178.369 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.452 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -174.92 -148.0 6.47 Favored Glycine 0 N--CA 1.448 -0.567 0 C-N-CA 120.069 -1.062 . . . . 0.0 112.832 179.792 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.9 mm -127.92 141.7 45.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 -176.113 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.478 ' HB3' ' HB2' ' A' ' 4' ' ' CYS . 0.6 OUTLIER -105.28 128.97 53.71 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 121.655 0.74 . . . . 0.0 110.503 176.975 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.538 ' O ' ' HA3' ' A' ' 35' ' ' GLY . 32.4 m95 -101.62 150.01 23.53 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 114.48 -1.236 . . . . 0.0 108.871 -178.534 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.497 ' HA ' ' O ' ' A' ' 34' ' ' LEU . 89.0 m-85 -79.4 100.69 7.75 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.985 0.422 . . . . 0.0 111.242 -176.439 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.466 ' H ' ' HA3' ' A' ' 35' ' ' GLY . 83.5 m-85 53.66 80.94 0.1 Allowed 'General case' 0 C--O 1.249 1.07 0 CA-C-N 114.694 -1.139 . . . . 0.0 112.732 175.606 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 9.7 mmt180 -115.01 112.06 44.76 Favored Pre-proline 0 N--CA 1.452 -0.337 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.536 175.478 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -57.75 -17.84 31.15 Favored 'Trans proline' 0 C--O 1.249 1.07 0 C-N-CA 123.144 2.563 . . . . 0.0 112.49 -176.57 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.1 p -152.79 138.28 17.68 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.762 177.909 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.9 t -92.22 122.13 65.35 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.113 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -70.16 125.07 11.53 Favored 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 122.554 2.17 . . . . 0.0 111.328 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.22 68.9 4.34 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.265 0.555 . . . . 0.0 111.397 -175.282 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -89.64 -56.89 3.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.482 177.657 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -89.91 23.51 2.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.934 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 53.32 28.63 35.78 Favored Glycine 0 C--O 1.245 0.805 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.566 -179.743 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.59 ' HD1' ' HD3' ' A' ' 40' ' ' PRO . 64.3 m-85 -32.55 128.09 0.25 Allowed 'General case' 0 C--N 1.352 0.702 0 O-C-N 125.153 1.149 . . . . 0.0 112.704 179.607 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.416 ' OG1' ' HA ' ' A' ' 40' ' ' PRO . 6.3 m -82.98 -42.7 17.27 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.241 -175.35 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -129.66 162.29 22.84 Favored Glycine 0 N--CA 1.443 -0.864 0 CA-C-N 115.617 -0.719 . . . . 0.0 112.183 179.016 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.9 m -135.07 81.35 1.89 Allowed 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 177.565 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.558 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 35.0 m -76.32 136.08 39.58 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.705 -174.568 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.415 ' HD2' ' O ' ' A' ' 35' ' ' GLY . 1.0 OUTLIER -79.31 97.25 6.22 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 176.883 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.529 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 4.5 t80 -79.57 163.1 24.92 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 176.87 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.503 ' HB3' HD21 ' A' ' 34' ' ' LEU . 29.1 t80 -51.7 -35.55 43.27 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.623 0.249 . . . . 0.0 111.489 -174.49 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.503 HD21 ' HB3' ' A' ' 33' ' ' PHE . 2.8 mm? -115.28 16.74 16.8 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -177.045 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.538 ' HA3' ' O ' ' A' ' 14' ' ' TRP . . . 158.84 -143.44 9.27 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 118.304 -1.903 . . . . 0.0 115.219 173.845 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.403 ' O ' ' HA ' ' A' ' 13' ' ' TYR . 5.0 m -115.26 112.65 22.76 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.35 -0.425 . . . . 0.0 111.407 -170.126 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.558 ' HB2' ' HB2' ' A' ' 30' ' ' CYS . 66.6 m -79.73 93.04 5.49 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.35 174.54 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 91.3 m -79.36 105.47 10.7 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 175.767 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.452 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 28.0 p -127.07 111.42 21.72 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -170.697 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.59 ' HD3' ' HD1' ' A' ' 26' ' ' TYR . 20.1 Cg_endo -93.52 -83.9 0.0 OUTLIER 'Trans proline' 0 N--CA 1.445 -1.367 0 C-N-CA 122.528 2.152 . . . . 0.0 110.223 161.318 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -161.88 27.33 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.606 172.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.9 t70 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.384 -0.817 . . . . 0.0 110.618 -171.602 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.662 0 N-CA-C 111.786 -0.525 . . . . 0.0 111.786 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -83.04 71.96 10.11 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.354 0.597 . . . . 0.0 110.662 178.566 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -74.16 133.52 42.77 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.588 -175.133 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 46.9 t -134.01 151.52 51.48 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.303 176.924 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.5 m -131.02 136.09 48.17 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.405 0.621 . . . . 0.0 111.478 -178.039 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.7 m -118.32 88.53 2.94 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.99 -1.005 . . . . 0.0 108.393 171.674 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.36 -109.31 2.79 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 -173.543 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 28.1 p-10 -103.21 -5.41 23.18 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.801 0.334 . . . . 0.0 110.192 176.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.7 t -82.9 127.33 33.4 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 178.409 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -133.31 144.2 49.52 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.157 -173.587 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.461 ' HA2' ' HB3' ' A' ' 42' ' ' ASP . . . -176.75 -134.92 2.06 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.366 -179.844 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 47.1 mm -126.75 134.99 64.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 -173.397 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.4 p90 -101.27 143.8 30.89 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.179 -0.608 . . . . 0.0 109.972 176.115 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.547 ' O ' ' HA3' ' A' ' 35' ' ' GLY . 30.4 m95 -109.04 137.52 46.82 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.088 -173.681 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.495 ' O ' ' HG2' ' A' ' 17' ' ' ARG . 99.2 m-85 -78.56 122.19 25.59 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.462 -174.495 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.416 ' O ' ' HD3' ' A' ' 18' ' ' PRO . 30.8 p90 48.27 20.73 0.3 Allowed 'General case' 0 C--O 1.25 1.086 0 C-N-CA 124.53 1.132 . . . . 0.0 113.19 -177.377 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.495 ' HG2' ' O ' ' A' ' 15' ' ' PHE . 22.8 mmm180 -99.92 103.37 21.8 Favored Pre-proline 0 C--N 1.343 0.314 0 O-C-N 123.505 0.503 . . . . 0.0 110.084 179.902 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.416 ' HD3' ' O ' ' A' ' 16' ' ' TYR . 88.0 Cg_endo -89.99 39.48 0.4 Allowed 'Trans proline' 0 C--O 1.249 1.071 0 C-N-CA 123.068 2.512 . . . . 0.0 112.617 -177.35 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.8 t -155.04 119.72 4.8 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.769 -178.723 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 94.3 m -92.93 121.34 66.02 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.303 179.79 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.53 118.98 5.67 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 123.085 2.523 . . . . 0.0 112.237 178.029 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.9 m -78.34 2.55 18.21 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.361 0.6 . . . . 0.0 111.08 -176.416 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -79.73 -44.65 20.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.77 -177.962 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.4 ttp85 -97.86 39.29 1.23 Allowed 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 121.14 0.495 . . . . 0.0 110.82 -176.44 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.417 ' O ' ' HB3' ' A' ' 40' ' ' PRO . . . 46.68 36.46 8.22 Favored Glycine 0 C--O 1.249 1.072 0 CA-C-N 114.84 -1.073 . . . . 0.0 115.427 167.403 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.489 ' HD1' ' HD3' ' A' ' 40' ' ' PRO . 57.9 m-85 -61.88 119.44 8.81 Favored 'General case' 0 C--N 1.344 0.339 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 174.481 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.5 m -92.55 -39.26 11.46 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.3 -170.379 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -113.22 153.91 17.27 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.938 -0.648 . . . . 0.0 111.856 -179.065 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.9 t -140.21 105.19 4.98 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.171 0.51 . . . . 0.0 109.73 179.366 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 33.6 m -115.1 157.31 23.74 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.664 -178.518 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -92.11 124.7 36.39 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.366 0.603 . . . . 0.0 110.005 175.83 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.551 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 7.3 t80 -110.65 155.05 22.94 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 176.038 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -46.96 -41.22 15.8 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.773 0.32 . . . . 0.0 111.504 -177.825 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -89.48 -15.6 32.71 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -174.362 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.547 ' HA3' ' O ' ' A' ' 14' ' ' TRP . . . 170.84 -138.32 4.88 Favored Glycine 0 C--O 1.223 -0.584 0 C-N-CA 119.715 -1.231 . . . . 0.0 113.333 -178.747 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.1 m -117.7 123.81 46.98 Favored 'General case' 0 C--N 1.317 -0.817 0 O-C-N 122.422 -0.458 . . . . 0.0 111.144 -175.974 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.551 ' SG ' ' HB2' ' A' ' 32' ' ' TYR . 80.5 m -81.44 107.13 13.96 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.064 178.745 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 37.3 m -98.87 105.34 17.47 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 176.836 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 39.7 p -119.51 116.17 33.59 Favored Pre-proline 0 C--N 1.323 -0.585 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -169.804 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.489 ' HD3' ' HD1' ' A' ' 26' ' ' TYR . 33.0 Cg_endo -96.57 -90.1 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 122.581 2.187 . . . . 0.0 111.028 163.385 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -154.6 37.95 0.42 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 173.933 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.461 ' HB3' ' HA2' ' A' ' 11' ' ' GLY . 35.3 t70 . . . . . 0 C--O 1.253 1.238 0 CA-C-N 114.791 -1.095 . . . . 0.0 110.426 -172.375 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.476 0 N-CA-C 111.875 -0.49 . . . . 0.0 111.875 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 18.6 p -122.15 56.79 1.09 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.248 0.547 . . . . 0.0 110.517 178.878 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.39 135.8 44.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.177 -177.918 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 42.0 t -136.0 152.84 51.34 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.031 -179.066 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.0 m -129.24 134.15 47.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.025 0.441 . . . . 0.0 110.926 -178.302 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 87.7 m -123.99 90.5 3.28 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.143 178.213 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.27 -96.12 0.11 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 121.062 -0.589 . . . . 0.0 112.501 179.207 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -91.61 -36.41 13.68 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.08 0.467 . . . . 0.0 110.56 179.477 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.0 m -83.52 144.02 29.8 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.373 -172.345 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.551 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -133.48 135.8 44.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.223 178.046 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.44 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -166.42 -137.71 2.28 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.16 -1.019 . . . . 0.0 112.844 -178.175 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 51.1 mm -127.39 137.2 58.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 -173.214 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.455 ' HE2' ' HB2' ' A' ' 34' ' ' LEU . 10.0 p90 -99.71 138.04 37.35 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 119.966 -0.694 . . . . 0.0 110.038 177.098 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 34.2 m95 -107.71 144.6 34.6 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.637 -176.091 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -79.36 122.14 26.01 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.926 0.393 . . . . 0.0 111.769 -173.728 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 49.93 32.98 6.04 Favored 'General case' 0 C--O 1.248 1.002 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 170.138 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.442 ' HD3' ' O ' ' A' ' 19' ' ' SER . 7.0 ptp180 -108.6 111.8 61.0 Favored Pre-proline 0 N--CA 1.454 -0.274 0 C-N-CA 119.891 -0.723 . . . . 0.0 110.157 169.058 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -78.01 9.0 3.2 Favored 'Trans proline' 0 C--O 1.251 1.137 0 C-N-CA 122.703 2.269 . . . . 0.0 112.09 178.21 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.442 ' O ' ' HD3' ' A' ' 17' ' ' ARG . 43.3 t -123.11 111.34 16.42 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.506 177.92 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.1 t -85.77 128.83 56.96 Favored Pre-proline 0 C--N 1.32 -0.685 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.647 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.401 ' HD2' ' SG ' ' A' ' 38' ' ' CYS . 59.6 Cg_endo -71.88 -177.95 2.86 Favored 'Trans proline' 0 N--CA 1.463 -0.283 0 C-N-CA 122.622 2.215 . . . . 0.0 111.828 178.495 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.6 p -131.98 34.47 3.83 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.115 0.484 . . . . 0.0 110.664 -179.4 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -77.93 -28.38 49.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.705 -173.226 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -110.11 9.62 24.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.748 -0.206 . . . . 0.0 111.551 -179.143 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.96 55.3 30.5 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.29 -0.957 . . . . 0.0 110.977 -172.279 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.438 ' CD1' ' HB3' ' A' ' 38' ' ' CYS . 87.6 m-85 -63.16 142.79 58.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.041 0.448 . . . . 0.0 110.989 -174.568 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 59.6 m -100.24 -47.53 4.92 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.055 -176.049 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -122.21 137.94 11.75 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.363 -0.922 . . . . 0.0 113.081 -177.707 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.0 t -112.05 123.9 51.26 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 175.369 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.638 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 16.0 m -132.72 165.46 24.46 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.087 -172.747 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -103.62 119.77 39.57 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 174.346 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.598 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 0.7 OUTLIER -112.4 165.28 12.34 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 174.56 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.546 ' HB2' HD21 ' A' ' 34' ' ' LEU . 45.7 m-85 -50.21 -33.78 20.59 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -170.151 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.546 HD21 ' HB2' ' A' ' 33' ' ' PHE . 2.1 mm? -108.73 -3.31 17.92 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -173.227 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.65 -147.75 11.66 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 119.348 -1.406 . . . . 0.0 114.102 -179.259 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.6 m -110.65 123.85 50.78 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.889 0.376 . . . . 0.0 110.982 -173.218 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.638 ' HB2' ' HB2' ' A' ' 30' ' ' CYS . 64.4 m -84.31 111.07 19.08 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.454 -179.237 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.438 ' HB3' ' CD1' ' A' ' 26' ' ' TYR . 90.5 m -97.82 103.75 15.72 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 173.396 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.44 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 53.3 p -119.15 111.97 36.51 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -170.437 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.551 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 31.6 Cg_endo -94.27 -80.23 0.0 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 122.759 2.306 . . . . 0.0 112.288 167.876 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -176.64 35.48 0.0 OUTLIER 'General case' 0 C--N 1.334 -0.084 0 C-N-CA 122.985 0.514 . . . . 0.0 110.027 -176.9 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.425 ' OXT' ' HE3' ' A' ' 10' ' ' LYS . 23.1 t70 . . . . . 0 C--O 1.246 0.914 0 CA-C-O 118.386 -0.816 . . . . 0.0 110.079 -176.034 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.548 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 4.9 p . . . . . 0 C--O 1.236 0.367 0 CA-C-O 121.361 0.6 . . . . 0.0 110.514 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.74 138.69 55.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.158 -0.928 . . . . 0.0 112.213 -173.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 53.6 t -142.4 148.71 38.29 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.084 175.148 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.7 p -133.09 134.01 43.71 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 120.971 0.415 . . . . 0.0 110.773 -178.301 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 76.9 m -124.11 92.36 3.65 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 176.274 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.67 -87.94 0.36 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 121.146 -0.55 . . . . 0.0 111.808 -178.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -118.61 -17.17 9.35 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.177 0.513 . . . . 0.0 110.353 177.556 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.1 m -79.34 133.78 36.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.649 -178.104 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.493 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 95.8 mttt -121.72 131.19 53.94 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -177.231 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.544 ' CA ' ' HD2' ' A' ' 40' ' ' PRO . . . -162.53 -150.28 5.95 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 119.734 -1.222 . . . . 0.0 114.019 -177.81 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.3 mm -125.39 136.8 59.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.298 -0.451 . . . . 0.0 110.161 -171.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.548 ' CE1' ' HB ' ' A' ' 2' ' ' THR . 20.6 p90 -106.65 141.9 37.16 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.585 177.431 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.555 ' HB3' ' HB2' ' A' ' 17' ' ' ARG . 24.7 m95 -105.4 137.97 42.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.227 -175.247 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.453 ' CE2' HG21 ' A' ' 2' ' ' THR . 98.4 m-85 -79.18 106.61 11.34 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.337 -175.613 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.436 ' O ' ' HD3' ' A' ' 18' ' ' PRO . 86.1 m-85 58.68 16.64 4.5 Favored 'General case' 0 C--O 1.248 1.023 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 175.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.555 ' HB2' ' HB3' ' A' ' 14' ' ' TRP . 17.3 mmm180 -91.15 108.41 28.21 Favored Pre-proline 0 C--N 1.343 0.293 0 O-C-N 123.642 0.589 . . . . 0.0 110.26 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.436 ' HD3' ' O ' ' A' ' 16' ' ' TYR . 6.2 Cg_exo -79.17 4.86 6.2 Favored 'Trans proline' 0 C--O 1.247 0.949 0 C-N-CA 123.144 2.562 . . . . 0.0 111.357 178.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.5 m -113.21 91.82 3.78 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.17 -177.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.4 t -97.9 112.98 63.09 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.037 178.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -70.97 100.95 1.02 Allowed 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.909 2.406 . . . . 0.0 111.377 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.0 t -77.29 -4.02 42.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.206 0.527 . . . . 0.0 110.721 -171.505 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -77.61 -2.11 34.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.891 -177.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -93.08 19.78 7.53 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.017 0.437 . . . . 0.0 110.292 176.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.56 30.33 66.7 Favored Glycine 0 C--O 1.25 1.139 0 CA-C-N 115.789 -0.641 . . . . 0.0 113.112 176.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -71.05 130.3 41.18 Favored 'General case' 0 C--N 1.347 0.493 0 O-C-N 123.791 0.348 . . . . 0.0 110.491 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.4 m -95.97 -44.35 7.4 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.959 -175.236 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -126.95 168.23 19.17 Favored Glycine 0 N--CA 1.443 -0.893 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.41 -178.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.6 m -140.39 115.29 9.66 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 177.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 33.6 m -117.74 160.02 22.04 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.306 -176.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -90.0 109.38 20.42 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.139 0.495 . . . . 0.0 109.813 175.444 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.59 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 20.5 t80 -94.62 151.19 19.51 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 176.479 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.557 ' HB2' HD22 ' A' ' 34' ' ' LEU . 83.1 m-85 -44.31 -48.95 9.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 123.277 0.36 . . . . 0.0 111.865 -177.244 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.557 HD22 ' HB2' ' A' ' 33' ' ' PHE . 2.7 mm? -96.15 3.2 53.42 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -173.022 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.462 ' HA3' ' O ' ' A' ' 14' ' ' TRP . . . 161.44 -156.53 28.02 Favored Glycine 0 C--N 1.332 0.339 0 C-N-CA 118.873 -1.632 . . . . 0.0 114.535 177.326 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.2 m -87.24 118.02 26.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.38 -0.41 . . . . 0.0 111.027 -173.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.59 ' HB2' ' HB2' ' A' ' 32' ' ' TYR . 17.8 t -89.48 109.22 20.17 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.948 0.404 . . . . 0.0 110.779 -179.015 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 62.3 m -101.79 107.73 19.02 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.764 178.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.479 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 1.8 p -113.36 113.35 48.57 Favored Pre-proline 0 C--N 1.325 -0.476 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -172.655 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.544 ' HD2' ' CA ' ' A' ' 11' ' ' GLY . 74.0 Cg_endo -92.5 -105.44 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.179 0 C-N-CA 122.926 2.417 . . . . 0.0 110.869 163.8 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -160.24 56.83 0.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.981 0.42 . . . . 0.0 109.977 175.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 34.5 t70 . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.7 -176.447 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 16.7 p . . . . . 0 C--O 1.235 0.314 0 CA-C-O 121.435 0.636 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.18 144.84 54.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.331 -178.19 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 30.9 t -152.41 148.72 27.79 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.642 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 p -141.18 128.24 20.75 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.233 0.539 . . . . 0.0 112.43 -177.353 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 61.1 m -105.87 86.32 2.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.239 174.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.0 -104.94 0.88 Allowed Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.165 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -84.65 -29.76 25.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.751 0.31 . . . . 0.0 110.55 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.4 m -80.74 120.99 25.34 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 -176.425 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.529 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 95.1 mttt -123.37 134.25 54.02 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.391 -0.226 . . . . 0.0 110.391 -175.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.495 ' HA3' ' HD2' ' A' ' 40' ' ' PRO . . . -171.87 -137.62 2.37 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.412 -0.899 . . . . 0.0 113.121 -178.003 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 42.3 mm -128.93 139.57 51.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 C-N-CA 122.359 0.263 . . . . 0.0 110.383 -172.147 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.716 ' HE2' ' HB2' ' A' ' 34' ' ' LEU . 5.6 p90 -103.54 139.18 39.22 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 119.857 -0.737 . . . . 0.0 110.468 177.567 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 15.9 m95 -105.26 148.45 26.97 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.275 -177.571 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.461 ' HA ' ' O ' ' A' ' 34' ' ' LEU . 89.0 m-85 -79.54 95.99 6.0 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.873 0.368 . . . . 0.0 111.468 -175.576 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.859 ' H ' ' HA3' ' A' ' 35' ' ' GLY . 68.5 m-85 54.39 76.27 0.25 Allowed 'General case' 0 C--O 1.249 1.032 0 CA-C-N 114.804 -1.089 . . . . 0.0 111.838 176.089 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -116.23 114.84 40.72 Favored Pre-proline 0 N--CA 1.452 -0.35 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.568 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -76.2 10.63 2.03 Favored 'Trans proline' 0 C--O 1.252 1.201 0 C-N-CA 123.032 2.488 . . . . 0.0 112.219 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.8 m -154.38 110.43 3.23 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.807 177.106 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.0 t -86.5 122.19 72.0 Favored Pre-proline 0 C--N 1.319 -0.736 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 176.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.645 ' HB2' ' HD3' ' A' ' 24' ' ' ARG . 37.1 Cg_endo -68.67 74.19 0.88 Allowed 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.843 2.362 . . . . 0.0 112.033 178.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.477 ' HA ' ' HB2' ' A' ' 26' ' ' TYR . 8.8 t -77.4 3.51 13.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.487 -171.754 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -79.72 -5.11 54.58 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.318 0.58 . . . . 0.0 109.666 175.022 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.645 ' HD3' ' HB2' ' A' ' 21' ' ' PRO . 26.6 mtp180 -107.46 38.9 2.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.151 -175.255 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.433 ' O ' ' HB3' ' A' ' 40' ' ' PRO . . . 89.29 -18.15 47.25 Favored Glycine 0 C--O 1.249 1.045 0 C-N-CA 120.834 -0.698 . . . . 0.0 113.667 172.394 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.608 ' HE2' ' HG2' ' A' ' 21' ' ' PRO . 26.3 m-85 -55.84 135.08 52.15 Favored 'General case' 0 C--N 1.347 0.478 0 O-C-N 123.755 0.327 . . . . 0.0 110.886 -178.485 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 13.2 t -116.8 -19.66 9.8 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.07 0.462 . . . . 0.0 110.191 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -131.88 154.97 21.2 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 121.113 -0.565 . . . . 0.0 111.993 178.368 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.6 m -141.21 87.61 2.1 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.161 0.505 . . . . 0.0 109.772 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 12.1 m -92.43 151.43 20.23 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.645 -176.115 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.442 HH11 ' HD3' ' A' ' 31' ' ' ARG . 7.2 tpt180 -79.64 110.99 15.49 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.297 0.57 . . . . 0.0 109.57 173.438 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.551 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 43.4 t80 -99.7 158.31 15.86 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 177.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.558 ' HB2' HD22 ' A' ' 34' ' ' LEU . 92.5 m-85 -45.85 -49.49 15.29 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.83 0.348 . . . . 0.0 111.796 -178.117 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.716 ' HB2' ' HE2' ' A' ' 13' ' ' TYR . 2.6 mm? -98.17 9.42 42.97 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -174.33 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.859 ' HA3' ' H ' ' A' ' 16' ' ' TYR . . . 153.24 -135.06 4.68 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 119.073 -1.537 . . . . 0.0 114.529 172.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.8 m -106.11 110.69 23.02 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.899 0.38 . . . . 0.0 110.926 -171.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.551 ' HB2' ' HB2' ' A' ' 32' ' ' TYR . 39.7 t -83.5 98.17 9.4 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.1 0.476 . . . . 0.0 110.075 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 97.2 m -91.92 108.66 20.09 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.831 -179.047 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.447 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 9.2 p -117.46 116.77 36.83 Favored Pre-proline 0 C--N 1.317 -0.808 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -172.425 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.529 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 38.2 Cg_endo -90.85 -98.44 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.115 0 C-N-CA 122.695 2.263 . . . . 0.0 111.126 164.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -153.96 21.96 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.187 0.517 . . . . 0.0 110.187 174.261 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.7 t70 . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.308 -0.853 . . . . 0.0 110.28 -173.155 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.8 p . . . . . 0 C--O 1.233 0.187 0 CA-C-O 121.312 0.577 . . . . 0.0 110.497 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.416 ' HA ' ' O ' ' A' ' 11' ' ' GLY . . . -77.98 137.39 38.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.979 -173.59 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.575 ' SG ' ' HB3' ' A' ' 13' ' ' TYR . 26.7 p -141.48 158.15 44.22 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.114 176.111 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 p -142.8 133.53 25.31 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.035 0.445 . . . . 0.0 111.136 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 19.2 p -134.17 132.49 39.87 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 178.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.59 -102.38 0.74 Allowed Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.814 -0.707 . . . . 0.0 111.461 -175.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -129.68 9.71 5.5 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.604 0.24 . . . . 0.0 110.973 178.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.6 p -109.71 138.26 46.34 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.106 0.479 . . . . 0.0 111.438 -178.041 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.531 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 49.6 mtpt -116.9 136.9 52.59 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.232 -178.221 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.507 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -169.87 -142.6 3.62 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.101 -1.047 . . . . 0.0 113.395 179.055 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.402 HD13 ' HA ' ' A' ' 3' ' ' ALA . 47.1 mm -126.07 132.08 70.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 -172.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.582 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 9.0 p90 -94.87 139.78 30.83 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.087 -0.645 . . . . 0.0 109.956 177.01 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.463 ' O ' ' HA3' ' A' ' 35' ' ' GLY . 41.7 m95 -106.22 150.32 26.0 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.422 -178.378 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.417 ' HA ' ' O ' ' A' ' 34' ' ' LEU . 91.2 m-85 -80.14 96.11 6.44 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.811 0.339 . . . . 0.0 111.42 -175.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.802 ' H ' ' HA3' ' A' ' 35' ' ' GLY . 82.5 m-85 51.6 78.63 0.11 Allowed 'General case' 0 C--O 1.251 1.16 0 CA-C-N 114.922 -1.036 . . . . 0.0 112.391 176.722 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.433 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 17.9 mmt180 -116.47 121.74 32.87 Favored Pre-proline 0 C--N 1.344 0.355 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.816 179.353 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 17' ' ' ARG . 26.9 Cg_exo -62.64 -12.38 28.14 Favored 'Trans proline' 0 C--O 1.25 1.117 0 C-N-CA 123.222 2.615 . . . . 0.0 113.102 -175.625 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.1 m -147.79 144.68 28.38 Favored 'General case' 0 N--CA 1.452 -0.345 0 O-C-N 123.752 0.658 . . . . 0.0 109.829 179.017 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.4 t -99.87 121.23 54.93 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.188 176.642 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.439 ' O ' ' HD2' ' A' ' 26' ' ' TYR . 46.7 Cg_endo -70.27 87.68 0.61 Allowed 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 122.362 2.041 . . . . 0.0 111.699 177.47 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.4 p -77.11 -8.83 58.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.375 0.607 . . . . 0.0 110.479 -176.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -79.14 -11.73 59.98 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.875 177.287 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.57 33.57 1.42 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.568 178.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.592 ' O ' ' HB3' ' A' ' 40' ' ' PRO . . . 90.18 -30.22 6.06 Favored Glycine 0 C--O 1.247 0.925 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.903 175.788 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.622 ' HD1' ' HD3' ' A' ' 40' ' ' PRO . 37.7 m-85 -58.75 129.42 42.02 Favored 'General case' 0 C--N 1.346 0.43 0 O-C-N 124.178 0.575 . . . . 0.0 110.741 -177.084 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.4 m -104.59 -40.27 6.08 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.079 0.466 . . . . 0.0 110.766 -175.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -110.94 149.08 17.81 Favored Glycine 0 N--CA 1.441 -0.988 0 C-N-CA 120.954 -0.641 . . . . 0.0 111.663 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.9 p -128.09 90.87 3.16 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.198 0.523 . . . . 0.0 110.207 179.067 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 59.7 m -96.37 145.11 25.9 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.33 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.47 ' HD3' ' C ' ' A' ' 31' ' ' ARG . 0.1 OUTLIER -82.83 123.94 29.84 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.344 -0.542 . . . . 0.0 109.56 -179.74 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.449 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 31.8 t80 -108.67 154.46 21.97 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 179.269 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -48.93 -39.34 25.81 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.945 0.402 . . . . 0.0 111.773 -177.379 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.567 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 2.6 mm? -94.96 -2.2 50.95 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -175.44 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.802 ' HA3' ' H ' ' A' ' 16' ' ' TYR . . . 158.38 -128.01 1.99 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 119.635 -1.269 . . . . 0.0 114.051 174.138 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.5 m -114.3 111.6 21.76 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 120.892 0.377 . . . . 0.0 110.842 -173.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.582 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 43.0 t -83.46 99.13 9.9 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.002 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.516 ' HB3' ' CG ' ' A' ' 26' ' ' TYR . 94.1 m -92.47 115.39 28.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.148 -179.267 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.507 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 21.5 p -122.77 114.97 29.62 Favored Pre-proline 0 C--N 1.322 -0.588 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 -170.141 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.622 ' HD3' ' HD1' ' A' ' 26' ' ' TYR . 29.1 Cg_endo -97.49 -93.34 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.127 0 C-N-CA 123.054 2.503 . . . . 0.0 111.257 161.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -157.62 57.1 0.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.596 175.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 33.9 t70 . . . . . 0 C--O 1.246 0.891 0 CA-C-O 118.507 -0.759 . . . . 0.0 110.922 -176.577 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.511 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 16.9 p . . . . . 0 C--O 1.234 0.266 0 CA-C-O 121.557 0.694 . . . . 0.0 110.387 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.33 137.43 56.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.878 -175.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 43.4 t -141.72 154.56 45.37 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.236 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.6 m -146.34 140.87 26.71 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.443 0.639 . . . . 0.0 111.792 -177.476 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 59.7 m -130.75 94.86 3.71 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.814 -1.084 . . . . 0.0 108.507 174.411 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.16 -118.88 7.64 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.654 -0.784 . . . . 0.0 111.68 -176.026 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -88.84 -14.06 37.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.066 0.46 . . . . 0.0 109.884 175.603 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.5 m -79.31 118.04 20.86 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.766 -177.104 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.616 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 36.2 mtmm -122.56 134.21 54.54 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.848 -176.318 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.439 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -166.57 -146.34 4.81 Favored Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 120.191 -1.004 . . . . 0.0 113.002 -177.791 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 47.1 mm -127.31 138.8 53.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -173.238 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.548 ' HE2' ' HB2' ' A' ' 34' ' ' LEU . 5.4 p90 -101.68 137.0 40.57 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.39 177.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 22.9 m95 -102.44 144.64 30.64 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.583 -177.116 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -79.43 102.18 8.59 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.784 -0.189 . . . . 0.0 111.071 -177.572 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 55.89 61.28 2.85 Favored 'General case' 0 C--O 1.253 1.253 0 O-C-N 123.806 0.692 . . . . 0.0 111.815 176.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.1 mtp180 -141.46 72.91 25.45 Favored Pre-proline 0 C--N 1.343 0.324 0 O-C-N 123.91 0.756 . . . . 0.0 110.761 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -58.77 -19.79 48.23 Favored 'Trans proline' 0 C--O 1.25 1.097 0 C-N-CA 122.685 2.257 . . . . 0.0 111.674 -178.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.9 m -90.69 69.9 6.65 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.024 177.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.3 t -71.93 123.32 89.28 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.651 -176.165 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -78.94 102.29 1.52 Allowed 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 122.609 2.206 . . . . 0.0 111.339 178.144 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.57 ' HA ' ' HD2' ' A' ' 26' ' ' TYR . 6.0 t -79.2 65.29 4.33 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 122.318 1.056 . . . . 0.0 111.205 -175.737 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -79.6 -29.11 41.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.305 176.124 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.7 mtm180 -106.85 20.49 18.96 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.994 -177.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.445 ' O ' ' HB3' ' A' ' 40' ' ' PRO . . . 66.84 52.83 30.84 Favored Glycine 0 C--O 1.248 1.027 0 CA-C-N 116.07 -0.514 . . . . 0.0 113.452 175.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.57 ' HD2' ' HA ' ' A' ' 22' ' ' THR . 61.2 m-85 -66.03 121.2 14.59 Favored 'General case' 0 C--N 1.346 0.454 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.0 m -88.68 -45.74 9.58 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.211 -171.107 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -120.84 159.37 15.49 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.515 -175.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.7 t -128.92 122.83 31.1 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 177.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.446 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 56.1 m -124.65 151.26 45.13 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 178.207 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.13 102.17 14.89 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.132 -0.627 . . . . 0.0 109.369 177.559 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.636 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 34.9 t80 -84.38 157.53 21.41 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.465 -0.788 . . . . 0.0 109.298 -178.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.624 ' HB3' HD22 ' A' ' 34' ' ' LEU . 25.4 t80 -44.68 -46.79 10.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 123.471 0.482 . . . . 0.0 112.086 -176.354 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.624 HD22 ' HB3' ' A' ' 33' ' ' PHE . 2.9 mm? -102.47 6.09 39.89 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -174.627 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 161.21 -144.78 10.17 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 118.713 -1.708 . . . . 0.0 114.441 177.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.2 m -98.12 115.75 28.92 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 122.513 0.325 . . . . 0.0 111.128 -172.252 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.636 ' HB2' ' HB2' ' A' ' 32' ' ' TYR . 37.8 t -87.28 108.22 18.85 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.9 0.381 . . . . 0.0 110.757 -179.276 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 60.2 m -100.27 111.4 23.68 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.057 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.439 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 16.5 p -119.89 113.6 34.35 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -173.227 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.616 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 24.6 Cg_endo -95.39 -90.63 0.0 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.305 0 C-N-CA 122.918 2.412 . . . . 0.0 111.042 163.441 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -168.25 50.9 0.05 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.226 179.187 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.423 ' OD1' ' HA2' ' A' ' 11' ' ' GLY . 5.6 p-10 . . . . . 0 C--O 1.251 1.153 0 CA-C-O 118.186 -0.912 . . . . 0.0 110.758 -177.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.7 p . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 121.368 0.604 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -80.84 150.88 28.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.621 -176.437 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 14.6 p -145.14 161.72 38.8 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.462 176.306 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 p -133.62 134.48 43.29 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.379 0.609 . . . . 0.0 111.797 -175.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 70.7 m -127.17 89.86 3.04 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.664 176.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.87 -108.09 2.36 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 121.006 -0.616 . . . . 0.0 111.96 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -102.4 -5.72 23.81 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.971 0.415 . . . . 0.0 110.666 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.0 m -101.05 126.19 47.71 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.142 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.507 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -126.74 143.09 51.35 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 -178.094 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.478 ' N ' HG22 ' A' ' 39' ' ' THR . . . -170.38 -143.63 4.02 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.372 -0.918 . . . . 0.0 112.745 -178.753 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 44.7 mm -124.82 140.68 47.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -173.058 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.547 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 2.0 p90 -97.05 131.74 43.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.482 0.658 . . . . 0.0 109.98 177.49 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 20.9 m95 -97.15 154.95 17.05 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 114.81 -1.086 . . . . 0.0 109.169 -179.231 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -85.71 83.38 7.88 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.791 0.329 . . . . 0.0 110.322 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.497 ' H ' ' HA3' ' A' ' 35' ' ' GLY . 81.5 m-85 67.45 86.88 0.13 Allowed 'General case' 0 C--O 1.249 1.065 0 CA-C-N 114.942 -1.026 . . . . 0.0 111.975 177.732 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -131.5 87.73 45.62 Favored Pre-proline 0 C--N 1.346 0.444 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.018 177.221 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -64.03 -7.65 14.04 Favored 'Trans proline' 0 C--O 1.248 1.001 0 C-N-CA 123.123 2.549 . . . . 0.0 112.317 179.149 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.0 m -136.65 66.55 1.48 Allowed 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.45 175.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.436 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 34.7 t -64.75 125.08 88.13 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.164 -179.079 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 20' ' ' CYS . 8.2 Cg_exo -69.33 108.38 1.98 Allowed 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 123.224 2.616 . . . . 0.0 111.879 -177.351 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 37.1 p -79.03 29.18 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -171.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -77.21 -22.33 52.48 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.651 0.262 . . . . 0.0 111.372 -172.262 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -79.71 -0.89 36.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.506 0.669 . . . . 0.0 109.742 172.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.59 45.55 7.83 Favored Glycine 0 C--O 1.246 0.85 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -176.575 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -62.83 129.29 39.78 Favored 'General case' 0 C--N 1.347 0.483 0 O-C-N 124.244 0.614 . . . . 0.0 111.029 -175.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.4 m -96.36 -48.21 5.68 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.677 -177.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -120.73 153.12 16.71 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.705 -178.015 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.7 p -129.03 82.01 2.06 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.474 0.654 . . . . 0.0 109.902 177.332 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.487 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 47.7 m -84.77 159.48 20.45 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.227 -176.432 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 31' ' ' ARG . 8.3 tpt180 -90.47 117.83 29.47 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.007 0.432 . . . . 0.0 110.129 177.321 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -102.62 156.87 17.33 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 177.025 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.614 ' HB2' HD22 ' A' ' 34' ' ' LEU . 62.0 m-85 -49.24 -38.75 27.73 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -174.734 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.614 HD22 ' HB2' ' A' ' 33' ' ' PHE . 2.2 mm? -108.27 7.03 27.11 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.376 0.509 . . . . 0.0 112.376 -174.361 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.497 ' HA3' ' H ' ' A' ' 16' ' ' TYR . . . 163.2 -140.01 6.24 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 118.899 -1.619 . . . . 0.0 114.324 177.096 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.7 m -110.62 113.46 26.1 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.822 0.344 . . . . 0.0 111.195 -170.336 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.547 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 25.3 t -80.53 99.44 8.06 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.417 179.418 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 64.6 m -93.02 107.68 19.42 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.996 -178.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.478 HG22 ' N ' ' A' ' 11' ' ' GLY . 6.1 p -116.0 107.19 48.37 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 115.756 -0.657 . . . . 0.0 112.7 -171.33 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.507 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 74.1 Cg_endo -92.89 -94.68 0.0 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.076 0 C-N-CA 122.631 2.221 . . . . 0.0 111.425 166.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -151.06 17.19 0.76 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.456 0.646 . . . . 0.0 109.488 176.021 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.253 1.252 0 CA-C-O 118.202 -0.904 . . . . 0.0 109.825 -172.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.571 ' HB ' ' CE2' ' A' ' 13' ' ' TYR . 18.5 p . . . . . 0 N--CA 1.452 -0.36 0 CA-C-O 121.26 0.553 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.03 140.2 57.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.514 -176.203 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 54.1 t -146.01 154.32 41.75 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.461 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.3 t -139.12 141.47 38.09 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.5 0.667 . . . . 0.0 111.399 -178.302 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 83.1 m -122.65 81.01 1.8 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.908 -1.042 . . . . 0.0 108.812 174.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.56 -95.44 0.53 Allowed Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.1 -179.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -108.92 -10.97 15.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.728 0.299 . . . . 0.0 110.866 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.2 m -90.02 109.02 20.09 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 177.165 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.498 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 27.9 mtmm -108.11 143.39 36.93 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.591 -178.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.43 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -170.87 -141.23 3.25 Favored Glycine 0 N--CA 1.441 -0.981 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.436 -179.458 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.6 mm -129.04 137.16 57.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -174.366 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.571 ' CE2' ' HB ' ' A' ' 2' ' ' THR . 3.1 p90 -95.38 131.06 41.9 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 119.881 -0.728 . . . . 0.0 109.448 175.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.42 ' O ' ' HA3' ' A' ' 35' ' ' GLY . 40.8 m95 -98.88 144.57 27.93 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.971 -176.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -78.32 101.49 7.22 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.835 0.35 . . . . 0.0 110.271 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.418 ' H ' ' HA3' ' A' ' 35' ' ' GLY . 80.6 m-85 62.36 77.96 0.31 Allowed 'General case' 0 C--O 1.251 1.153 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.691 177.45 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 86.2 mmt-85 -135.47 71.86 65.45 Favored Pre-proline 0 C--N 1.346 0.443 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.644 176.319 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.28 -21.43 22.85 Favored 'Trans proline' 0 C--O 1.25 1.091 0 C-N-CA 122.922 2.414 . . . . 0.0 112.404 -177.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.3 t -127.68 87.9 2.7 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 175.613 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.2 t -66.83 129.68 94.04 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.56 -171.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -75.0 98.12 1.14 Allowed 'Trans proline' 0 N--CA 1.461 -0.408 0 C-N-CA 122.843 2.362 . . . . 0.0 111.126 176.178 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.568 ' HA ' ' CD2' ' A' ' 26' ' ' TYR . 5.0 t -79.02 87.19 4.83 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 122.177 0.989 . . . . 0.0 111.187 -175.137 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -83.0 -28.0 30.0 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.968 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -128.07 36.66 4.28 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.032 0.444 . . . . 0.0 111.417 -174.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.48 ' O ' ' HB3' ' A' ' 40' ' ' PRO . . . 61.93 56.69 21.13 Favored Glycine 0 C--O 1.25 1.1 0 CA-C-N 115.749 -0.66 . . . . 0.0 113.248 177.079 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.568 ' CD2' ' HA ' ' A' ' 22' ' ' THR . 23.1 m-85 -59.48 118.05 5.58 Favored 'General case' 0 C--N 1.345 0.372 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 176.135 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.3 m -86.47 -37.66 18.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.795 0.331 . . . . 0.0 110.921 -171.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -123.75 157.3 18.15 Favored Glycine 0 N--CA 1.441 -1.001 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.083 178.012 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.8 m -133.81 82.86 2.0 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 176.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.473 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 36.3 m -85.35 157.38 20.55 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.374 -178.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.404 ' HA ' ' HD2' ' A' ' 31' ' ' ARG . 7.1 tpt180 -89.2 122.87 32.91 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.277 177.292 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -108.05 156.39 19.31 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.631 -0.878 . . . . 0.0 108.631 176.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.526 ' HB2' HD22 ' A' ' 34' ' ' LEU . 94.6 m-85 -47.0 -44.34 20.15 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -175.587 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.526 HD22 ' HB2' ' A' ' 33' ' ' PHE . 2.7 mm? -101.19 1.26 38.86 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -173.799 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.42 ' HA3' ' O ' ' A' ' 14' ' ' TRP . . . 165.87 -143.36 8.35 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 119.073 -1.537 . . . . 0.0 114.117 178.427 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.2 m -106.42 118.07 35.68 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.162 0.506 . . . . 0.0 111.378 -172.249 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.501 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 41.2 t -81.96 96.98 7.87 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.157 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.456 ' HB3' ' CG ' ' A' ' 26' ' ' TYR . 57.4 m -91.77 109.08 20.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.027 -177.441 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.43 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 16.6 p -124.32 112.95 27.86 Favored Pre-proline 0 C--N 1.322 -0.626 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 -170.28 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.498 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 37.9 Cg_endo -98.98 -94.69 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.145 0 C-N-CA 123.022 2.481 . . . . 0.0 111.544 163.431 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -152.72 45.5 0.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 175.044 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.7 t70 . . . . . 0 C--O 1.249 1.047 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.075 -171.904 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.6 ' HB ' ' CE2' ' A' ' 13' ' ' TYR . 18.2 p . . . . . 0 C--O 1.234 0.257 0 CA-C-O 121.277 0.56 . . . . 0.0 110.476 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.64 163.23 14.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.482 -174.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.4 p -156.1 163.58 39.47 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.155 176.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.3 t -141.43 138.91 33.25 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.446 0.641 . . . . 0.0 111.315 -175.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 55.8 m -121.24 78.42 1.41 Allowed 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.056 -0.975 . . . . 0.0 108.875 176.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.14 -100.22 0.38 Allowed Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.529 -0.759 . . . . 0.0 112.299 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -86.13 -31.32 21.91 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.776 0.322 . . . . 0.0 110.849 -179.278 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.1 m -86.25 129.29 34.9 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.15 -177.255 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.628 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 9.7 ptpp? -130.65 137.67 49.7 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 121.158 -0.217 . . . . 0.0 110.504 -177.547 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -170.18 -142.83 3.71 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.062 -1.066 . . . . 0.0 113.593 -177.136 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.6 mm -127.3 141.69 45.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -171.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.613 ' HE1' ' HB2' ' A' ' 34' ' ' LEU . 3.0 p90 -97.93 134.68 40.72 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 121.501 0.667 . . . . 0.0 110.111 177.613 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 22.5 m95 -104.06 167.86 9.49 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.957 -1.02 . . . . 0.0 109.179 179.222 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -97.99 105.8 18.0 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 120.61 0.243 . . . . 0.0 110.772 -177.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.521 ' H ' ' HA3' ' A' ' 35' ' ' GLY . 62.3 m-85 53.99 73.99 0.35 Allowed 'General case' 0 C--O 1.25 1.107 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.924 178.21 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.7 mmt180 -119.58 111.2 36.43 Favored Pre-proline 0 C--N 1.341 0.234 0 CA-C-N 116.207 -0.452 . . . . 0.0 109.969 177.591 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -62.97 -12.39 29.32 Favored 'Trans proline' 0 C--O 1.249 1.069 0 C-N-CA 123.024 2.483 . . . . 0.0 111.929 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.2 p -159.24 134.67 8.45 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 114.804 -1.089 . . . . 0.0 109.242 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 73.7 m -78.98 128.7 75.56 Favored Pre-proline 0 C--N 1.318 -0.8 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.45 178.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -62.42 92.67 0.13 Allowed 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.477 2.118 . . . . 0.0 110.294 174.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.0 t -79.79 55.45 2.05 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.679 0.752 . . . . 0.0 112.497 -166.349 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -79.66 -38.81 32.84 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 174.615 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 -84.39 2.73 39.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.885 179.054 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.06 58.7 5.48 Favored Glycine 0 C--O 1.249 1.081 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.333 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -63.0 124.97 22.45 Favored 'General case' 0 C--N 1.347 0.475 0 CA-C-O 121.039 0.447 . . . . 0.0 110.806 -177.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.2 m -100.26 -28.96 12.72 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.212 0.53 . . . . 0.0 110.61 -173.236 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -123.66 137.74 11.08 Favored Glycine 0 N--CA 1.443 -0.849 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.68 177.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.9 m -117.66 82.15 1.78 Allowed 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 178.145 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.637 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 59.5 m -87.99 163.96 16.04 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.042 -177.203 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.438 ' HD3' ' C ' ' A' ' 31' ' ' ARG . 0.2 OUTLIER -100.91 128.56 46.89 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 177.672 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.448 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 18.5 t80 -113.44 152.78 29.64 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.416 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.596 ' HB2' HD22 ' A' ' 34' ' ' LEU . 70.5 m-85 -43.12 -44.08 4.8 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -176.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.613 ' HB2' ' HE1' ' A' ' 13' ' ' TYR . 2.1 mm? -97.36 -6.52 33.98 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -172.618 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.521 ' HA3' ' H ' ' A' ' 16' ' ' TYR . . . 170.34 -126.07 1.3 Allowed Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 119.829 -1.177 . . . . 0.0 113.897 179.05 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.1 m -115.27 122.8 47.06 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.697 0.284 . . . . 0.0 110.978 -172.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.637 ' HB3' ' HB2' ' A' ' 30' ' ' CYS . 38.9 t -88.07 96.98 10.72 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.205 0.526 . . . . 0.0 109.597 179.373 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 57.8 m -90.67 108.75 20.01 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.077 -176.019 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.8 p -120.56 113.32 33.53 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -172.117 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.628 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 35.7 Cg_endo -97.14 -79.83 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.17 0 C-N-CA 122.442 2.095 . . . . 0.0 111.967 163.781 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.482 ' HA ' ' HG2' ' A' ' 10' ' ' LYS . . . -176.56 43.08 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 -175.63 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.8 t70 . . . . . 0 C--O 1.247 0.939 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.503 -172.666 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.463 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 18.5 p . . . . . 0 N--CA 1.454 -0.232 0 CA-C-O 121.097 0.475 . . . . 0.0 110.574 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.492 ' HA ' HD13 ' A' ' 12' ' ' ILE . . . -61.68 145.89 50.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.099 -178.152 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 42.1 t -150.5 163.68 37.83 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.403 -177.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m -146.85 144.02 29.01 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.44 -178.246 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.2 t -152.29 122.66 7.24 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 176.422 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.33 -122.54 30.18 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.814 -0.708 . . . . 0.0 111.796 -175.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -94.86 -9.93 32.84 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.829 0.347 . . . . 0.0 110.883 177.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.6 p -95.73 138.43 33.4 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.019 0.438 . . . . 0.0 111.343 -174.16 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.413 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 58.6 mttp -127.82 140.24 52.16 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.315 178.249 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -167.24 -132.11 1.36 Allowed Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.627 -176.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.492 HD13 ' HA ' ' A' ' 3' ' ' ALA . 50.0 mm -132.3 137.96 53.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -175.16 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.643 ' HE2' ' HB2' ' A' ' 34' ' ' LEU . 11.0 p90 -100.64 139.18 36.69 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.081 -0.647 . . . . 0.0 110.025 177.443 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.458 ' HB3' ' HG3' ' A' ' 17' ' ' ARG . 20.4 m95 -103.6 146.41 28.6 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.729 -177.286 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -79.38 95.08 5.65 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.667 ' H ' ' HA3' ' A' ' 35' ' ' GLY . 84.2 m-85 58.1 76.04 0.35 Allowed 'General case' 0 C--O 1.25 1.12 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.024 178.346 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.458 ' HG3' ' HB3' ' A' ' 14' ' ' TRP . 17.1 mmm180 -131.51 82.83 60.48 Favored Pre-proline 0 C--N 1.343 0.305 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.677 177.439 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.41 -24.33 34.89 Favored 'Trans proline' 0 C--O 1.248 1.014 0 C-N-CA 123.607 2.871 . . . . 0.0 113.042 -174.05 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.9 t -106.9 91.09 3.52 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.481 -0.781 . . . . 0.0 108.974 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.0 t -69.23 116.32 41.1 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.101 -179.164 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -60.26 115.93 2.98 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.898 2.399 . . . . 0.0 112.134 -176.592 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.0 t -85.26 23.86 1.22 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.366 0.603 . . . . 0.0 110.377 -176.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -78.69 -25.93 44.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.9 -174.228 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -118.76 38.99 3.61 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.803 -0.359 . . . . 0.0 111.9 -179.25 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 55.22 25.41 39.84 Favored Glycine 0 C--O 1.25 1.126 0 N-CA-C 114.595 0.598 . . . . 0.0 114.595 171.351 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -48.21 120.86 3.84 Favored 'General case' 0 C--N 1.349 0.575 0 O-C-N 124.0 0.47 . . . . 0.0 110.332 175.445 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.6 m -83.65 -45.76 13.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.985 -171.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -121.19 156.16 16.28 Favored Glycine 0 N--CA 1.441 -1.006 0 C-N-CA 120.978 -0.63 . . . . 0.0 112.136 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.417 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 9.2 t -139.26 103.01 4.64 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 176.323 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 56.9 m -113.88 146.4 40.07 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.551 -176.08 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.406 ' HD3' ' C ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -78.16 110.14 12.88 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.501 0.667 . . . . 0.0 109.734 -178.815 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.64 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 43.5 t80 -93.21 158.81 15.57 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 114.893 -1.049 . . . . 0.0 108.694 179.566 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.57 ' HB2' HD22 ' A' ' 34' ' ' LEU . 53.0 m-85 -43.04 -48.16 6.02 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -176.536 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.643 ' HB2' ' HE2' ' A' ' 13' ' ' TYR . 3.0 mm? -92.82 -7.56 46.03 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 -174.002 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.667 ' HA3' ' H ' ' A' ' 16' ' ' TYR . . . 165.96 -128.98 1.85 Allowed Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 118.953 -1.594 . . . . 0.0 114.304 178.122 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.6 m -111.1 109.37 19.42 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.057 0.456 . . . . 0.0 111.043 -171.419 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.64 ' HB2' ' HB2' ' A' ' 32' ' ' TYR . 39.1 t -85.46 110.48 19.2 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.469 -178.126 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 82.9 m -103.55 116.13 31.81 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.051 0.453 . . . . 0.0 110.001 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.6 p -124.39 113.58 27.6 Favored Pre-proline 0 C--N 1.321 -0.669 0 N-CA-C 112.913 0.709 . . . . 0.0 112.913 -172.057 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.413 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 37.0 Cg_endo -96.7 -90.33 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 122.787 2.325 . . . . 0.0 111.16 165.349 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -163.85 31.61 0.08 Allowed 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 175.485 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.5 t70 . . . . . 0 C--O 1.246 0.889 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.476 -168.339 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.554 HG22 ' CE1' ' A' ' 13' ' ' TYR . 1.1 m . . . . . 0 C--O 1.234 0.24 0 CA-C-O 121.472 0.653 . . . . 0.0 109.617 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.458 ' HA ' ' O ' ' A' ' 11' ' ' GLY . . . -66.83 138.92 57.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.884 -1.053 . . . . 0.0 112.337 -173.247 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 52.5 t -146.77 166.78 25.6 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.811 -1.086 . . . . 0.0 108.421 176.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.3 t -146.5 143.37 28.89 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.25 0.547 . . . . 0.0 111.941 -175.241 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 72.2 m -125.82 94.32 4.08 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.019 -0.991 . . . . 0.0 108.904 173.297 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.87 -104.78 1.6 Allowed Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.761 -0.733 . . . . 0.0 111.323 -176.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -103.58 -13.81 16.41 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.997 0.427 . . . . 0.0 110.012 176.06 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.3 m -78.69 134.86 37.08 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.665 -177.342 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.421 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 34.6 mtmm -131.6 142.14 49.82 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.045 -175.696 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.458 ' O ' ' HA ' ' A' ' 3' ' ' ALA . . . -175.43 -137.81 2.63 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.352 -0.928 . . . . 0.0 112.634 -178.723 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.415 HG23 ' HB ' ' A' ' 2' ' ' THR . 48.9 mm -123.64 134.95 64.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 -172.689 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.563 ' HE2' ' HB2' ' A' ' 34' ' ' LEU . 5.3 p90 -104.28 133.03 49.87 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 120.046 -0.662 . . . . 0.0 110.209 175.494 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.446 ' O ' ' HA3' ' A' ' 35' ' ' GLY . 65.3 m95 -93.26 164.86 13.07 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.245 -176.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -105.37 104.85 14.66 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 120.564 -0.454 . . . . 0.0 111.661 -174.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.427 ' H ' ' HA3' ' A' ' 35' ' ' GLY . 87.7 m-85 59.57 67.51 0.88 Allowed 'General case' 0 C--O 1.25 1.119 0 CA-C-N 115.05 -0.977 . . . . 0.0 112.131 176.225 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.447 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 50.9 mtt180 -124.46 121.14 25.93 Favored Pre-proline 0 C--N 1.346 0.414 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.512 175.491 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 17' ' ' ARG . 33.2 Cg_exo -60.91 -13.97 30.03 Favored 'Trans proline' 0 C--O 1.252 1.187 0 C-N-CA 123.417 2.744 . . . . 0.0 113.042 -178.684 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 59.1 p -138.8 144.55 39.39 Favored 'General case' 0 N--CA 1.45 -0.472 0 O-C-N 123.696 0.622 . . . . 0.0 110.582 -178.071 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 41.8 t -93.97 116.17 66.1 Favored Pre-proline 0 C--N 1.322 -0.615 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 174.649 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 20' ' ' CYS . 21.5 Cg_exo -65.18 98.12 0.31 Allowed 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 122.824 2.349 . . . . 0.0 112.034 -179.432 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.0 p -79.08 16.88 0.84 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.217 0.532 . . . . 0.0 111.245 -176.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -78.96 -12.7 60.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.878 177.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.5 ' HB2' ' CE2' ' A' ' 26' ' ' TYR . 17.5 mmm180 -107.63 27.48 9.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.285 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.96 14.19 44.36 Favored Glycine 0 C--O 1.251 1.16 0 CA-C-O 119.662 -0.521 . . . . 0.0 114.324 173.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.619 ' CG ' ' HB3' ' A' ' 38' ' ' CYS . 31.1 m-85 -53.53 133.27 41.07 Favored 'General case' 0 C--N 1.347 0.459 0 O-C-N 123.878 0.399 . . . . 0.0 111.177 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 91.7 m -94.42 -50.6 5.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.777 -176.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -105.69 144.93 15.86 Favored Glycine 0 N--CA 1.442 -0.913 0 N-CA-C 111.608 -0.597 . . . . 0.0 111.608 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.5 p -128.19 87.96 2.68 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.524 0.678 . . . . 0.0 109.756 178.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 16.8 m -103.54 136.21 43.69 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.757 -176.428 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.74 114.96 18.11 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 177.647 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.464 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 2.0 t80 -102.25 158.11 16.42 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -178.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -49.43 -40.79 37.95 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 111.849 0.315 . . . . 0.0 111.849 -172.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.563 ' HB2' ' HE2' ' A' ' 13' ' ' TYR . 2.3 mm? -91.9 -13.86 30.56 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 112.392 0.515 . . . . 0.0 112.392 -176.314 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.446 ' HA3' ' O ' ' A' ' 14' ' ' TRP . . . 168.83 -133.69 2.95 Favored Glycine 0 C--O 1.225 -0.453 0 C-N-CA 119.298 -1.43 . . . . 0.0 114.146 -179.683 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.23 105.79 15.37 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.713 0.292 . . . . 0.0 111.323 -170.133 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.464 ' HB2' ' HB2' ' A' ' 32' ' ' TYR . 51.5 t -80.36 98.08 7.31 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.975 0.417 . . . . 0.0 110.177 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.619 ' HB3' ' CG ' ' A' ' 26' ' ' TYR . 73.4 m -101.34 114.84 29.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.293 -178.554 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.3 p -125.68 111.28 25.27 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -169.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.522 ' HD3' ' HD1' ' A' ' 26' ' ' TYR . 42.1 Cg_endo -97.27 -90.11 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 122.795 2.33 . . . . 0.0 111.217 165.515 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -157.24 32.53 0.28 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 174.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.9 t70 . . . . . 0 C--O 1.248 1.002 0 CA-C-N 115.184 -0.917 . . . . 0.0 110.544 -171.877 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.44 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 16.9 p . . . . . 0 N--CA 1.451 -0.394 0 CA-C-O 121.125 0.488 . . . . 0.0 110.642 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.473 ' HA ' HD13 ' A' ' 12' ' ' ILE . . . -75.85 143.7 41.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.758 -176.079 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.488 ' SG ' ' HB3' ' A' ' 13' ' ' TYR . 30.8 p -145.58 174.41 11.19 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.471 175.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.5 m -144.98 140.45 28.2 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.24 0.543 . . . . 0.0 111.646 -177.645 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 79.6 m -121.11 80.48 1.65 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.532 173.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.03 -98.25 0.62 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 121.011 -0.614 . . . . 0.0 111.888 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -94.3 -24.08 17.57 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.97 0.414 . . . . 0.0 110.527 178.338 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.8 m -81.3 127.1 32.36 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.517 -176.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.444 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 62.0 mttm -120.07 131.37 55.07 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -178.157 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.483 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -168.92 -141.23 3.15 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 119.566 -1.302 . . . . 0.0 113.586 -178.165 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.473 HD13 ' HA ' ' A' ' 3' ' ' ALA . 50.1 mm -128.93 136.22 60.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.573 -0.313 . . . . 0.0 110.187 -171.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.488 ' HB3' ' SG ' ' A' ' 4' ' ' CYS . 22.9 p90 -97.66 139.74 33.1 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.333 -0.547 . . . . 0.0 109.65 176.072 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 35.1 m95 -109.86 149.96 29.1 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.425 -177.111 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -79.46 88.94 5.02 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.104 0.478 . . . . 0.0 111.182 -176.119 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.428 ' H ' ' HA3' ' A' ' 35' ' ' GLY . 88.4 m-85 63.52 64.43 0.81 Allowed 'General case' 0 C--O 1.248 1.02 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.919 176.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.406 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 10.4 mmt180 -100.57 118.67 60.5 Favored Pre-proline 0 C--N 1.345 0.387 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.162 174.706 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 17' ' ' ARG . 9.7 Cg_exo -71.49 -1.62 10.04 Favored 'Trans proline' 0 C--O 1.248 0.982 0 C-N-CA 122.861 2.374 . . . . 0.0 111.997 -179.196 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.3 t -160.16 133.62 6.94 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.221 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 89.4 m -80.0 123.98 83.27 Favored Pre-proline 0 C--N 1.321 -0.642 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 176.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.433 ' HB2' ' HE2' ' A' ' 26' ' ' TYR . 83.4 Cg_exo -42.4 108.85 0.11 Allowed 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 123.28 2.653 . . . . 0.0 112.281 178.487 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.2 t -77.4 -3.46 40.35 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.792 -169.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.46 ' HB2' ' NH1' ' A' ' 24' ' ' ARG . 3.6 m-20 -79.21 -22.06 45.43 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.301 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.46 ' NH1' ' HB2' ' A' ' 23' ' ' ASP . 2.3 mpp_? -104.59 17.89 23.27 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.629 -178.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 49.68 32.92 17.82 Favored Glycine 0 C--O 1.25 1.121 0 N-CA-C 114.959 0.744 . . . . 0.0 114.959 171.087 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.433 ' HE2' ' HB2' ' A' ' 21' ' ' PRO . 44.0 m-85 -53.45 131.21 37.73 Favored 'General case' 0 C--N 1.345 0.411 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 174.06 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.5 m -96.02 -46.38 6.53 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.134 0.492 . . . . 0.0 110.804 -174.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -99.95 155.89 19.64 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.633 178.516 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 39.9 m -144.88 76.56 1.5 Allowed 'General case' 0 C--N 1.319 -0.717 0 CA-C-O 121.566 0.698 . . . . 0.0 109.551 -179.14 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.7 m -92.76 140.31 29.65 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.076 -175.577 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -79.07 103.82 9.28 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 176.386 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.599 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 25.4 t80 -90.51 157.16 17.69 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.193 -0.912 . . . . 0.0 108.919 -178.627 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.448 ' HB2' HD22 ' A' ' 34' ' ' LEU . 58.2 m-85 -41.91 -45.38 3.72 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 123.56 0.538 . . . . 0.0 112.301 -177.013 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.469 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 2.1 mm? -90.24 -17.68 27.04 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -173.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.428 ' HA3' ' H ' ' A' ' 16' ' ' TYR . . . 170.63 -129.13 1.74 Allowed Glycine 0 C--O 1.227 -0.339 0 C-N-CA 119.574 -1.298 . . . . 0.0 113.616 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.8 m -108.91 108.9 19.84 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.832 0.349 . . . . 0.0 110.781 -174.126 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.599 ' HB2' ' HB2' ' A' ' 32' ' ' TYR . 49.8 t -80.76 97.91 7.53 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.953 179.417 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.416 ' HB3' ' CG ' ' A' ' 26' ' ' TYR . 56.3 m -94.57 107.3 19.29 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.485 -178.746 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.483 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 7.4 p -119.29 113.55 35.25 Favored Pre-proline 0 C--N 1.322 -0.629 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -170.15 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.444 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 31.6 Cg_endo -92.41 -93.6 0.0 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.28 0 C-N-CA 122.337 2.025 . . . . 0.0 110.992 165.496 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -163.64 49.5 0.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 175.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.2 t70 . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.917 -173.911 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.511 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 16.6 p . . . . . 0 C--O 1.233 0.2 0 CA-C-O 121.379 0.609 . . . . 0.0 110.643 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.69 150.13 28.17 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.737 -175.71 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.44 ' SG ' ' HB3' ' A' ' 13' ' ' TYR . 25.6 p -149.52 176.99 10.13 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.026 175.734 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.5 m -148.47 143.84 26.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.038 0.447 . . . . 0.0 111.42 -178.593 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 84.9 m -121.87 93.32 3.96 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.568 175.486 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.61 -96.6 0.58 Allowed Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.755 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -102.59 -21.12 14.22 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.699 0.285 . . . . 0.0 110.618 178.173 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.0 p -83.49 145.02 29.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.82 0.343 . . . . 0.0 110.984 -173.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.554 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 28.0 mtmt -125.66 146.38 49.75 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.523 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -174.94 -149.83 7.46 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.011 -1.09 . . . . 0.0 113.037 178.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.4 mm -124.74 136.61 60.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 -173.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.571 ' CE2' ' HB2' ' A' ' 34' ' ' LEU . 20.9 p90 -99.24 141.21 32.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.317 0.579 . . . . 0.0 109.947 177.451 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.566 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 42.5 m95 -105.39 151.4 24.25 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.921 -1.036 . . . . 0.0 108.778 -178.48 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -79.89 93.28 5.63 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 120.923 0.392 . . . . 0.0 111.064 -175.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.604 ' H ' ' HA3' ' A' ' 35' ' ' GLY . 75.0 m-85 58.73 74.46 0.44 Allowed 'General case' 0 C--O 1.248 1.009 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.772 177.756 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.566 ' HD2' ' HB3' ' A' ' 14' ' ' TRP . 53.2 mtt180 -137.78 80.88 29.89 Favored Pre-proline 0 N--CA 1.452 -0.367 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.975 177.532 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.47 -17.68 35.36 Favored 'Trans proline' 0 C--O 1.25 1.097 0 C-N-CA 123.421 2.748 . . . . 0.0 112.742 -175.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.5 m -113.74 88.11 2.77 Favored 'General case' 0 N--CA 1.449 -0.519 0 O-C-N 124.116 0.885 . . . . 0.0 109.05 177.169 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.4 t -79.1 135.8 58.05 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.914 -174.437 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -69.55 90.24 0.5 Allowed 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 123.008 2.472 . . . . 0.0 110.954 176.175 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.441 ' HA ' ' HD2' ' A' ' 26' ' ' TYR . 12.5 t -78.7 13.0 1.81 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.784 -169.816 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.458 ' HB2' HH11 ' A' ' 24' ' ' ARG . 4.2 m-20 -76.35 -7.89 55.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.196 0.522 . . . . 0.0 110.446 -177.065 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.458 HH11 ' HB2' ' A' ' 23' ' ' ASP . 7.3 mpt_? -88.47 4.02 48.03 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.932 178.217 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.515 ' O ' ' HB3' ' A' ' 40' ' ' PRO . . . 85.27 26.49 36.34 Favored Glycine 0 C--O 1.248 0.987 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.973 -179.732 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.447 ' HD1' ' HD3' ' A' ' 40' ' ' PRO . 35.6 m-85 -65.7 131.94 47.55 Favored 'General case' 0 C--N 1.348 0.523 0 O-C-N 123.999 0.47 . . . . 0.0 110.72 -178.359 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.5 m -96.04 -50.03 5.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.827 -177.717 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -112.77 162.05 12.49 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.562 -178.352 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.7 m -143.38 82.39 1.74 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 177.577 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 23.4 m -93.71 158.65 15.57 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.469 -175.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -80.04 120.86 24.77 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.021 0.439 . . . . 0.0 109.843 174.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.509 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 42.0 t80 -107.49 154.28 21.6 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 176.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.49 ' HB2' HD22 ' A' ' 34' ' ' LEU . 75.9 m-85 -47.09 -46.25 22.58 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.738 0.304 . . . . 0.0 111.761 -176.786 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.571 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 2.4 mm? -93.23 -4.25 52.29 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -175.225 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.604 ' HA3' ' H ' ' A' ' 16' ' ' TYR . . . 165.92 -130.45 2.15 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 119.229 -1.462 . . . . 0.0 114.12 178.028 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.3 m -115.55 116.67 28.55 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 120.85 0.357 . . . . 0.0 110.521 -172.616 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.509 ' HB2' ' HB2' ' A' ' 32' ' ' TYR . 35.5 t -87.56 112.12 21.93 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 -176.79 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 60.0 m -102.92 110.89 22.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.015 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.523 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 29.3 p -118.82 112.07 36.99 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -172.674 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.554 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 20.7 Cg_endo -90.1 -95.14 0.0 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.284 0 C-N-CA 122.503 2.136 . . . . 0.0 110.748 161.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -154.6 40.91 0.46 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.33 0.586 . . . . 0.0 109.908 176.014 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.3 t70 . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.431 -0.795 . . . . 0.0 110.619 -173.298 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.476 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 1.2 p . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 121.128 0.489 . . . . 0.0 110.741 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' A' ' 11' ' ' GLY . . . -83.35 140.86 32.18 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.576 -174.751 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.617 ' SG ' ' HB3' ' A' ' 13' ' ' TYR . 29.4 p -142.96 163.52 32.55 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.219 175.669 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m -126.89 131.4 51.16 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.38 0.61 . . . . 0.0 111.862 -176.192 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 72.3 m -116.17 86.23 2.45 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.09 174.506 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.74 -104.52 0.66 Allowed Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.301 -178.41 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -91.04 -26.55 19.13 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.85 0.357 . . . . 0.0 110.837 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.1 p -86.68 125.99 34.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.896 0.379 . . . . 0.0 110.827 -177.691 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.438 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 61.6 mttm -123.84 135.69 53.91 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 -177.563 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.475 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -168.83 -145.22 4.51 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 119.83 -1.176 . . . . 0.0 113.389 -177.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.1 mm -120.82 135.18 61.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 -173.213 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.617 ' HB3' ' SG ' ' A' ' 4' ' ' CYS . 11.8 p90 -103.6 140.82 37.04 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.241 0.543 . . . . 0.0 110.079 177.06 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.494 ' O ' ' HA3' ' A' ' 35' ' ' GLY . 33.8 m95 -110.31 139.61 45.32 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.402 -174.822 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -77.16 107.66 9.7 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.902 0.382 . . . . 0.0 111.217 -170.468 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 53.35 39.28 29.61 Favored 'General case' 0 C--O 1.247 0.954 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.364 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.418 ' HD3' ' HB3' ' A' ' 14' ' ' TRP . 36.7 mtp180 -121.78 91.68 48.68 Favored Pre-proline 0 C--N 1.344 0.342 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.051 178.103 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -84.34 56.92 5.06 Favored 'Trans proline' 0 C--O 1.251 1.166 0 C-N-CA 122.972 2.448 . . . . 0.0 112.134 -179.025 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.0 m -152.77 79.69 1.21 Allowed 'General case' 0 C--N 1.345 0.404 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.138 179.235 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 85.8 m -72.29 116.24 47.08 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.509 -178.584 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.563 ' HD2' ' CE2' ' A' ' 26' ' ' TYR . 53.4 Cg_exo -54.7 122.71 12.11 Favored 'Trans proline' 0 C--O 1.24 0.614 0 C-N-CA 123.478 2.785 . . . . 0.0 113.007 177.773 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.5 t -79.59 -18.56 51.37 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.252 -178.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -79.3 -18.74 52.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.122 0.487 . . . . 0.0 109.93 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -80.67 -8.97 59.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.227 175.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.493 ' O ' ' HB3' ' A' ' 40' ' ' PRO . . . 79.61 21.16 67.12 Favored Glycine 0 C--O 1.248 1.013 0 CA-C-N 115.579 -0.737 . . . . 0.0 112.763 178.62 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.563 ' CE2' ' HD2' ' A' ' 21' ' ' PRO . 19.7 m-85 -63.64 127.56 31.91 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 123.778 0.34 . . . . 0.0 110.624 -179.628 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.5 m -94.39 -43.93 8.15 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.008 0.432 . . . . 0.0 110.984 -174.082 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -118.18 168.52 13.13 Favored Glycine 0 N--CA 1.442 -0.907 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.303 179.541 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.1 m -144.04 78.19 1.58 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.188 0.518 . . . . 0.0 109.65 -178.319 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.529 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 3.7 m -81.14 148.46 29.58 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.971 -176.109 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.437 HH11 ' HD3' ' A' ' 31' ' ' ARG . 4.1 tpt180 -85.62 111.46 20.09 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.021 -0.671 . . . . 0.0 110.037 174.248 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -101.19 159.08 15.55 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.097 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.633 ' HB3' HD22 ' A' ' 34' ' ' LEU . 32.8 t80 -47.1 -45.06 21.87 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -174.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.633 HD22 ' HB3' ' A' ' 33' ' ' PHE . 2.8 mm? -101.45 1.98 38.84 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -174.117 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.494 ' HA3' ' O ' ' A' ' 14' ' ' TRP . . . 165.88 -143.86 8.75 Favored Glycine 0 C--O 1.224 -0.531 0 C-N-CA 119.05 -1.547 . . . . 0.0 113.756 179.201 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.423 ' O ' ' HA ' ' A' ' 13' ' ' TYR . 6.5 m -113.16 120.77 42.4 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.793 0.33 . . . . 0.0 110.958 -174.468 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.529 ' HB2' ' HB2' ' A' ' 30' ' ' CYS . 1.3 m -79.68 95.11 5.85 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.634 177.513 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.504 ' HB3' ' CG ' ' A' ' 26' ' ' TYR . 58.8 m -82.62 97.27 8.41 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 176.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.475 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 2.0 p -111.5 110.18 55.61 Favored Pre-proline 0 C--N 1.322 -0.628 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 -168.724 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.493 ' HB3' ' O ' ' A' ' 25' ' ' GLY . 59.0 Cg_endo -97.97 -97.85 0.0 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.299 0 C-N-CA 122.935 2.423 . . . . 0.0 111.271 166.283 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -169.59 38.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 176.082 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.2 t70 . . . . . 0 C--O 1.247 0.97 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.791 -168.642 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.1 p . . . . . 0 C--O 1.232 0.147 0 CA-C-O 121.429 0.633 . . . . 0.0 110.117 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.479 ' HA ' ' O ' ' A' ' 11' ' ' GLY . . . -71.45 142.32 50.24 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.051 -0.977 . . . . 0.0 112.519 -172.044 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.644 ' SG ' ' HB3' ' A' ' 13' ' ' TYR . 28.3 p -149.33 157.84 43.67 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 173.59 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.0 t -129.51 141.41 51.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.343 0.592 . . . . 0.0 111.559 -176.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 77.3 m -116.81 90.54 3.36 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.458 175.095 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.44 -100.65 0.49 Allowed Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.264 -178.546 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -91.04 -32.75 15.78 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.889 0.376 . . . . 0.0 110.5 177.528 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.9 m -79.22 143.75 35.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.679 -173.232 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.518 ' HG2' ' HA ' ' A' ' 41' ' ' ALA . 13.3 ptmm? -136.9 140.26 42.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.697 -0.229 . . . . 0.0 110.481 -178.403 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.479 ' O ' ' HA ' ' A' ' 3' ' ' ALA . . . -169.7 -140.16 2.91 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.142 -1.028 . . . . 0.0 112.795 -178.409 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.5 mm -125.96 134.91 65.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 -173.099 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.644 ' HB3' ' SG ' ' A' ' 4' ' ' CYS . 3.7 p90 -96.76 133.4 41.38 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 121.436 0.636 . . . . 0.0 110.083 175.723 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.494 ' O ' ' HA3' ' A' ' 35' ' ' GLY . 13.5 m95 -101.79 143.0 32.26 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.51 -175.483 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -79.31 108.56 12.91 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 120.828 0.347 . . . . 0.0 111.522 -174.516 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 53.38 67.57 0.98 Allowed 'General case' 0 C--O 1.252 1.212 0 CA-C-N 115.078 -0.965 . . . . 0.0 112.699 175.098 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -109.98 118.46 49.75 Favored Pre-proline 0 C--N 1.343 0.292 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.235 174.394 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.14 -17.78 33.59 Favored 'Trans proline' 0 C--O 1.251 1.157 0 C-N-CA 123.197 2.598 . . . . 0.0 112.824 -175.212 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.2 t -160.49 142.13 12.42 Favored 'General case' 0 N--CA 1.449 -0.521 0 O-C-N 124.158 0.911 . . . . 0.0 109.039 178.084 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.1 t -80.42 116.43 61.74 Favored Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 178.709 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.437 ' HB2' ' OD2' ' A' ' 23' ' ' ASP . 43.2 Cg_endo -71.02 122.75 9.07 Favored 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.54 2.16 . . . . 0.0 111.387 -178.581 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.9 t -81.51 56.04 2.83 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.963 0.887 . . . . 0.0 111.58 -172.099 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.437 ' OD2' ' HB2' ' A' ' 21' ' ' PRO . 18.4 m-20 -85.57 -45.35 11.84 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.25 177.73 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.573 ' HB2' ' CZ ' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -101.16 29.93 4.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.476 . . . . 0.0 112.094 -175.09 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 48.56 33.61 12.47 Favored Glycine 0 C--O 1.25 1.156 0 CA-C-O 119.835 -0.425 . . . . 0.0 113.87 174.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.573 ' CZ ' ' HB2' ' A' ' 24' ' ' ARG . 45.7 m-85 -47.65 134.96 12.07 Favored 'General case' 0 C--N 1.345 0.372 0 O-C-N 124.518 0.775 . . . . 0.0 110.976 176.548 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.5 m -88.69 -50.63 6.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.757 -175.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -118.57 119.24 4.29 Favored Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.402 -178.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.8 m -99.25 90.91 4.73 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 175.414 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.435 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 56.2 m -94.73 150.23 20.42 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.001 -177.699 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.413 ' HD2' ' O ' ' A' ' 35' ' ' GLY . 1.1 tmm_? -84.34 99.16 10.44 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 120.203 -0.599 . . . . 0.0 109.637 176.089 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.73 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 33.1 t80 -80.26 161.43 25.14 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 177.526 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.645 ' HB2' HD22 ' A' ' 34' ' ' LEU . 45.5 m-85 -48.82 -38.68 22.9 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -171.469 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.645 HD22 ' HB2' ' A' ' 33' ' ' PHE . 2.6 mm? -113.97 10.33 17.56 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -175.189 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.494 ' HA3' ' O ' ' A' ' 14' ' ' TRP . . . 165.07 -146.26 11.06 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 118.563 -1.78 . . . . 0.0 114.552 178.166 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.3 m -104.07 108.13 19.35 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 120.968 0.413 . . . . 0.0 111.435 -170.452 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.73 ' HB2' ' HB2' ' A' ' 32' ' ' TYR . 51.5 t -79.86 94.31 5.8 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.777 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.513 ' HB3' ' CG ' ' A' ' 26' ' ' TYR . 72.5 m -91.57 103.06 15.71 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.104 -178.247 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.449 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 71.2 p -116.86 109.24 43.33 Favored Pre-proline 0 C--N 1.329 -0.313 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -171.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.487 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 16.9 Cg_endo -93.13 -77.49 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.139 0 C-N-CA 122.438 2.092 . . . . 0.0 111.587 165.26 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.518 ' HA ' ' HG2' ' A' ' 10' ' ' LYS . . . -177.89 33.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 -178.423 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.4 t70 . . . . . 0 C--O 1.247 0.957 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.424 -172.46 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.553 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 5.0 p . . . . . 0 C--O 1.236 0.346 0 CA-C-O 121.429 0.633 . . . . 0.0 110.805 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.96 141.35 57.64 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.397 -177.166 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 18.6 t -145.53 150.18 35.96 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.718 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.7 m -129.58 138.69 51.43 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.45 0.643 . . . . 0.0 111.698 -177.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 82.6 m -119.25 75.05 1.02 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.844 -1.071 . . . . 0.0 108.569 172.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.62 -101.09 0.36 Allowed Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.246 -177.082 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -79.61 -37.45 36.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.914 0.388 . . . . 0.0 110.344 178.342 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.0 t -79.69 137.61 37.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.88 -172.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.473 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 59.8 mttp -137.26 141.08 42.0 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.511 -0.181 . . . . 0.0 110.511 -176.152 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.508 ' N ' HG22 ' A' ' 39' ' ' THR . . . -178.14 -139.89 3.62 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.627 -0.797 . . . . 0.0 113.089 -177.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.3 mm -127.1 136.1 61.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.699 0.285 . . . . 0.0 110.629 -171.548 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.553 ' CE1' ' HB ' ' A' ' 2' ' ' THR . 18.5 p90 -100.74 142.55 32.05 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.092 -0.643 . . . . 0.0 109.979 176.115 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.467 ' O ' ' HA3' ' A' ' 35' ' ' GLY . 74.8 m95 -108.78 138.13 45.61 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.935 -175.384 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -77.09 118.38 19.58 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.132 0.491 . . . . 0.0 111.74 -173.72 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 52.11 31.53 9.07 Favored 'General case' 0 C--O 1.25 1.121 0 CA-C-N 114.715 -1.13 . . . . 0.0 113.84 173.215 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 74.2 mtt180 -96.79 100.64 7.65 Favored Pre-proline 0 C--N 1.341 0.235 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 167.691 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -65.09 -10.46 25.72 Favored 'Trans proline' 0 C--O 1.25 1.08 0 C-N-CA 122.732 2.288 . . . . 0.0 112.437 -176.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.2 t -117.16 115.1 24.68 Favored 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 124.087 0.867 . . . . 0.0 109.631 179.045 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.529 ' HB2' HG21 ' A' ' 36' ' ' THR . 42.1 t -71.18 125.52 91.93 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-O 120.747 0.308 . . . . 0.0 110.571 179.599 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 20' ' ' CYS . 8.7 Cg_exo -71.84 67.5 3.12 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.863 2.375 . . . . 0.0 111.441 176.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.6 t -76.99 8.28 3.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.812 0.815 . . . . 0.0 110.702 -175.104 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -78.38 -17.51 56.36 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.116 -0.947 . . . . 0.0 109.175 173.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.4 mtp180 -94.33 30.26 2.0 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.259 -178.553 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.63 -9.79 64.06 Favored Glycine 0 C--O 1.25 1.132 0 C-N-CA 120.998 -0.62 . . . . 0.0 114.04 172.049 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.511 ' HD1' ' HD3' ' A' ' 40' ' ' PRO . 30.5 m-85 -57.28 130.77 47.7 Favored 'General case' 0 C--N 1.346 0.437 0 O-C-N 123.743 0.319 . . . . 0.0 110.291 178.706 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.662 HG22 ' HA ' ' A' ' 40' ' ' PRO . 15.2 t -101.88 -33.81 9.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.14 0.495 . . . . 0.0 110.696 -174.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -110.55 150.4 17.66 Favored Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 111.69 -0.564 . . . . 0.0 111.69 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.4 m -134.95 82.73 1.98 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.335 0.588 . . . . 0.0 110.338 -177.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 11.3 m -92.26 164.83 13.39 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 -100.35 127.79 46.57 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 119.602 -0.839 . . . . 0.0 110.356 172.02 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -96.06 154.58 17.16 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 172.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.603 ' HB3' HD22 ' A' ' 34' ' ' LEU . 38.6 t80 -52.16 -30.63 27.69 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 118.627 0.649 . . . . 0.0 111.927 -174.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.603 HD22 ' HB3' ' A' ' 33' ' ' PHE . 2.6 mm? -108.11 0.48 21.66 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 112.481 0.548 . . . . 0.0 112.481 -173.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.467 ' HA3' ' O ' ' A' ' 14' ' ' TRP . . . 172.56 -156.3 24.85 Favored Glycine 0 C--O 1.224 -0.52 0 C-N-CA 119.621 -1.276 . . . . 0.0 113.117 178.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.529 HG21 ' HB2' ' A' ' 20' ' ' CYS . 73.8 m -100.04 122.83 43.52 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.228 0.537 . . . . 0.0 110.836 -178.321 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 44.7 t -87.37 99.95 12.37 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.089 -178.635 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.452 ' HB3' ' CG ' ' A' ' 26' ' ' TYR . 72.7 m -96.95 110.28 22.84 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.041 -178.61 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.508 HG22 ' N ' ' A' ' 11' ' ' GLY . 21.6 p -121.14 120.87 28.96 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.371 -171.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.662 ' HA ' HG22 ' A' ' 27' ' ' THR . 54.0 Cg_endo -99.11 -94.55 0.0 OUTLIER 'Trans proline' 0 N--CA 1.443 -1.468 0 C-N-CA 122.894 2.396 . . . . 0.0 110.919 163.268 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -151.4 48.46 0.82 Allowed 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 173.187 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.486 ' HB3' ' HA2' ' A' ' 11' ' ' GLY . 17.0 t70 . . . . . 0 C--O 1.246 0.906 0 CA-C-O 118.443 -0.789 . . . . 0.0 110.178 -173.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.593 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 6.6 p . . . . . 0 C--O 1.236 0.385 0 CA-C-O 121.565 0.698 . . . . 0.0 109.842 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.11 132.06 45.98 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 114.829 -1.078 . . . . 0.0 112.996 -167.488 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.4 ' SG ' ' HD2' ' A' ' 32' ' ' TYR . 43.4 t -138.64 153.75 48.62 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 114.823 -1.081 . . . . 0.0 108.959 171.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 m -142.88 134.83 27.0 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.03 0.443 . . . . 0.0 111.107 -178.126 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 61.7 m -129.43 81.94 2.05 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.364 177.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.64 -105.46 1.24 Allowed Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.555 178.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -87.97 -15.13 37.36 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.193 0.52 . . . . 0.0 110.345 -177.187 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.1 m -100.93 138.88 37.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.044 -177.601 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.505 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -124.48 147.04 48.61 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 178.14 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.506 ' HA2' ' O ' ' A' ' 42' ' ' ASP . . . -173.79 -150.63 7.69 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 119.44 -1.362 . . . . 0.0 114.169 -178.132 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 47.7 mm -123.82 138.41 53.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 114.921 -0.64 . . . . 0.0 110.292 -169.259 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.593 ' CE1' ' HB ' ' A' ' 2' ' ' THR . 12.2 p90 -104.89 140.54 37.99 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.444 177.286 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 26.7 m95 -102.24 139.76 37.42 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.827 -177.158 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.424 ' CE2' HG21 ' A' ' 2' ' ' THR . 93.0 m-85 -78.61 112.23 15.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.656 -172.104 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 51.7 p90 43.11 25.69 0.06 Allowed 'General case' 0 C--O 1.247 0.964 0 C-N-CA 124.879 1.272 . . . . 0.0 113.784 178.609 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 17' ' ' ARG . 27.0 mtp85 -100.53 116.11 64.65 Favored Pre-proline 0 N--CA 1.45 -0.462 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.075 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -83.49 34.51 0.54 Allowed 'Trans proline' 0 C--O 1.25 1.076 0 C-N-CA 123.352 2.701 . . . . 0.0 111.269 174.747 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.4 p -136.33 97.16 3.52 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.428 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.6 t -106.51 108.48 61.91 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.541 178.669 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_endo -80.63 146.43 16.9 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 122.583 2.188 . . . . 0.0 113.012 -175.714 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.8 t -79.31 53.52 1.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 122.393 1.092 . . . . 0.0 109.456 177.087 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -102.03 -44.47 5.46 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.047 -0.979 . . . . 0.0 111.511 -176.195 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 26' ' ' TYR . 22.8 mmm180 -95.8 28.47 3.06 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.469 -173.566 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 55.18 25.2 38.82 Favored Glycine 0 C--O 1.248 1.0 0 C-N-CA 121.104 -0.569 . . . . 0.0 113.128 177.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.472 ' CZ ' ' HB2' ' A' ' 24' ' ' ARG . 34.7 m-85 -48.47 127.76 13.69 Favored 'General case' 0 C--N 1.348 0.501 0 O-C-N 124.49 0.759 . . . . 0.0 111.129 177.822 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.477 HG22 ' HA ' ' A' ' 40' ' ' PRO . 14.9 t -108.73 -20.14 13.18 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.002 0.429 . . . . 0.0 110.551 -177.708 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -139.96 168.09 25.17 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.961 -0.638 . . . . 0.0 111.923 179.016 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.0 t -142.22 137.31 30.67 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.068 0.461 . . . . 0.0 110.046 179.041 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 60.6 m -136.92 177.44 7.85 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.74 -178.14 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.437 HH11 ' HD3' ' A' ' 31' ' ' ARG . 8.9 tpt180 -102.57 133.79 46.97 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 176.065 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.4 ' HD2' ' SG ' ' A' ' 4' ' ' CYS . 7.4 t80 -119.48 154.54 33.61 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 177.404 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.602 ' HB2' HD22 ' A' ' 34' ' ' LEU . 40.4 m-85 -45.04 -44.15 9.92 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -175.032 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.602 HD22 ' HB2' ' A' ' 33' ' ' PHE . 2.6 mm? -94.65 -10.38 32.02 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 -173.591 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.43 -133.97 3.06 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 119.176 -1.488 . . . . 0.0 113.714 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 17.7 m -95.48 136.54 35.73 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.616 0.246 . . . . 0.0 110.629 -171.584 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 18.1 t -106.44 129.25 54.45 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 120.832 0.349 . . . . 0.0 110.094 176.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 81.5 m -124.18 118.29 26.53 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.306 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.498 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 3.2 p -121.51 116.55 30.62 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 113.08 0.771 . . . . 0.0 113.08 -172.053 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.505 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 72.7 Cg_endo -98.79 -102.0 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 123.309 2.673 . . . . 0.0 110.852 162.682 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -135.58 5.46 3.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.237 0.541 . . . . 0.0 110.331 172.436 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.506 ' O ' ' HA2' ' A' ' 11' ' ' GLY . 11.3 m-20 . . . . . 0 C--O 1.243 0.721 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.248 -174.773 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.1 p . . . . . 0 N--CA 1.455 -0.207 0 CA-C-O 121.33 0.586 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -89.26 143.96 26.45 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.653 -177.118 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.6 p -138.96 152.89 48.06 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.635 178.317 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m -118.5 135.62 54.28 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.998 0.428 . . . . 0.0 110.949 -177.589 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 95.4 m -129.68 79.95 1.93 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.037 177.563 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.53 -105.45 1.6 Allowed Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.477 177.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -93.79 -10.36 34.44 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.839 0.352 . . . . 0.0 110.728 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.9 m -105.79 125.05 50.53 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.568 -175.464 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.589 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 37.6 tttm -114.84 138.77 50.38 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 176.756 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.534 ' N ' HG22 ' A' ' 39' ' ' THR . . . -165.59 -147.56 5.2 Favored Glycine 0 N--CA 1.442 -0.903 0 C-N-CA 120.304 -0.95 . . . . 0.0 112.773 -179.237 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.6 mm -129.15 136.87 58.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 -171.532 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.633 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 9.7 p90 -91.82 135.34 33.99 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 120.041 -0.664 . . . . 0.0 109.235 175.338 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.726 ' HB3' ' HG3' ' A' ' 17' ' ' ARG . 38.7 m95 -110.77 142.74 42.33 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.395 -0.821 . . . . 0.0 109.866 -176.2 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -79.46 112.89 17.15 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.87 -178.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 57.85 61.52 2.37 Favored 'General case' 0 C--O 1.249 1.049 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.71 173.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.726 ' HG3' ' HB3' ' A' ' 14' ' ' TRP . 16.9 mmt180 -121.3 109.98 34.62 Favored Pre-proline 0 C--N 1.347 0.493 0 O-C-N 123.272 0.358 . . . . 0.0 110.426 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 17' ' ' ARG . 12.0 Cg_exo -71.18 -1.87 10.26 Favored 'Trans proline' 0 C--O 1.25 1.124 0 C-N-CA 123.177 2.585 . . . . 0.0 113.097 -176.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.2 m -154.32 141.1 19.09 Favored 'General case' 0 C--N 1.342 0.279 0 O-C-N 123.627 0.58 . . . . 0.0 110.301 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 98.9 m -89.8 127.17 55.15 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.302 178.013 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -47.11 109.88 0.25 Allowed 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 123.181 2.587 . . . . 0.0 112.426 177.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.7 t -79.23 -9.13 59.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.773 -174.174 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.6 p-10 -79.98 -25.1 40.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.807 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 24' ' ' ARG . 44.7 mtp85 -92.29 -1.89 56.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.199 0.523 . . . . 0.0 109.776 172.63 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.525 ' O ' ' HB3' ' A' ' 40' ' ' PRO . . . 73.18 27.14 68.89 Favored Glycine 0 C--O 1.247 0.938 0 CA-C-N 115.415 -0.811 . . . . 0.0 113.89 174.079 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.615 ' HD1' ' HD3' ' A' ' 40' ' ' PRO . 64.3 m-85 -56.94 120.55 8.15 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 177.565 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.9 m -96.06 -40.89 9.01 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.013 0.435 . . . . 0.0 111.22 -170.598 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -109.99 159.66 13.81 Favored Glycine 0 N--CA 1.443 -0.85 0 C-N-CA 121.036 -0.602 . . . . 0.0 112.245 -176.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.6 m -135.88 92.41 2.81 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.128 0.489 . . . . 0.0 109.896 178.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.48 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 36.4 m -92.33 138.06 31.84 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 178.488 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.79 96.65 6.35 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.372 0.606 . . . . 0.0 109.837 -178.74 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.588 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 33.9 t80 -84.4 150.53 25.27 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.167 -178.612 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.518 ' HB3' HD22 ' A' ' 34' ' ' LEU . 33.5 t80 -47.51 -43.06 24.37 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.774 0.321 . . . . 0.0 111.636 -174.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.518 HD22 ' HB3' ' A' ' 33' ' ' PHE . 2.4 mm? -95.56 -7.23 38.47 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 -174.833 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 167.3 -148.28 12.9 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 119.13 -1.51 . . . . 0.0 114.031 178.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.1 m -95.34 107.68 19.82 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.337 -0.431 . . . . 0.0 110.929 -173.09 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.633 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 27.5 t -79.89 95.98 6.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.192 0.52 . . . . 0.0 109.898 178.275 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.435 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 63.7 m -91.41 114.95 27.61 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.765 -178.181 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.534 HG22 ' N ' ' A' ' 11' ' ' GLY . 2.2 p -121.65 114.29 31.46 Favored Pre-proline 0 C--N 1.322 -0.592 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -172.32 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.615 ' HD3' ' HD1' ' A' ' 26' ' ' TYR . 74.2 Cg_endo -102.87 -100.84 0.0 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.28 0 C-N-CA 123.293 2.662 . . . . 0.0 111.423 164.439 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -147.35 38.78 0.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 175.07 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 33.0 t70 . . . . . 0 C--O 1.245 0.829 0 CA-C-N 114.356 -1.293 . . . . 0.0 110.056 -170.533 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.498 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 24.8 p . . . . . 0 C--O 1.235 0.326 0 CA-C-O 121.505 0.669 . . . . 0.0 110.732 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.43 116.79 19.87 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.076 -0.966 . . . . 0.0 111.137 -177.219 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.436 ' SG ' ' HB3' ' A' ' 13' ' ' TYR . 6.1 p -117.52 167.73 11.03 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.933 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 p -138.49 127.4 23.84 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.277 0.561 . . . . 0.0 112.205 -177.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 72.4 m -106.77 90.88 3.45 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 172.547 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.97 -102.63 1.09 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.708 -0.758 . . . . 0.0 111.724 -177.154 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -107.68 -0.88 21.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.862 0.363 . . . . 0.0 110.48 178.538 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.9 m -93.24 122.91 36.11 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.195 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.437 ' HE3' ' HB2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -110.42 126.86 54.75 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.661 ' CA ' ' HD2' ' A' ' 40' ' ' PRO . . . -152.13 -155.81 7.21 Favored Glycine 0 N--CA 1.443 -0.862 0 C-N-CA 120.308 -0.948 . . . . 0.0 113.22 -176.804 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.7 mm -125.38 132.6 70.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -172.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.547 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 19.5 p90 -102.6 140.28 37.09 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 119.966 -0.694 . . . . 0.0 110.846 178.093 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.53 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 57.3 m95 -104.64 142.15 35.17 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.616 -177.484 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -78.62 124.74 28.49 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -170.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 45.1 p90 45.38 25.42 0.22 Allowed 'General case' 0 C--O 1.25 1.115 0 C-N-CA 125.321 1.448 . . . . 0.0 114.271 177.157 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.53 ' HD2' ' HB3' ' A' ' 14' ' ' TRP . 55.5 mtt180 -89.58 117.1 67.86 Favored Pre-proline 0 C--N 1.342 0.246 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 175.743 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -82.69 27.02 0.62 Allowed 'Trans proline' 0 C--O 1.25 1.124 0 C-N-CA 122.978 2.452 . . . . 0.0 112.754 -176.712 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.6 t -159.01 153.98 25.03 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 178.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.6 t -108.38 115.64 57.72 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-O 120.705 0.288 . . . . 0.0 110.228 -178.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -77.87 81.14 2.77 Favored 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 122.839 2.359 . . . . 0.0 110.836 178.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.0 t -97.28 86.01 3.81 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 122.321 1.057 . . . . 0.0 112.506 -173.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -116.26 0.83 12.99 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 164.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -95.61 -11.74 26.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.315 -1.311 . . . . 0.0 110.629 -176.592 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.95 52.74 1.88 Allowed Glycine 0 C--O 1.247 0.96 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.758 -177.244 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.626 ' CG ' ' HB3' ' A' ' 38' ' ' CYS . 30.6 m-85 -88.3 115.73 26.0 Favored 'General case' 0 C--N 1.343 0.292 0 O-C-N 123.822 0.366 . . . . 0.0 110.136 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.3 m -82.0 -46.0 14.57 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.111 0.481 . . . . 0.0 110.258 -176.457 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -112.39 160.69 13.02 Favored Glycine 0 N--CA 1.442 -0.902 0 C-N-CA 120.653 -0.785 . . . . 0.0 112.147 -179.432 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.0 m -144.61 81.53 1.66 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.47 0.652 . . . . 0.0 110.024 176.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.475 ' O ' ' HB3' ' A' ' 37' ' ' CYS . 2.0 m -97.07 142.6 28.81 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 -177.61 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -79.73 120.87 24.62 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 118.708 -1.197 . . . . 0.0 110.805 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.477 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 15.7 t80 -90.69 164.25 14.21 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.848 -1.069 . . . . 0.0 108.214 175.786 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -44.88 -38.79 4.86 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -174.589 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.41 HD22 ' N ' ' A' ' 34' ' ' LEU . 3.4 mm? -114.48 11.87 17.25 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.932 0.715 . . . . 0.0 112.932 -173.22 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.472 ' HA3' ' O ' ' A' ' 14' ' ' TRP . . . 164.25 -163.23 35.92 Favored Glycine 0 C--O 1.223 -0.555 0 C-N-CA 119.194 -1.479 . . . . 0.0 113.329 178.273 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 63.8 m -95.21 117.8 30.88 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.076 0.465 . . . . 0.0 110.808 -176.036 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.547 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 32.4 t -87.15 105.97 17.56 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.721 -178.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.626 ' HB3' ' CG ' ' A' ' 26' ' ' TYR . 80.2 m -90.48 111.41 22.67 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.112 177.478 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.542 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 0.5 OUTLIER -110.0 113.94 56.61 Favored Pre-proline 0 N--CA 1.447 -0.619 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 -171.779 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.661 ' HD2' ' CA ' ' A' ' 11' ' ' GLY . 90.0 Cg_endo -90.71 -150.86 0.04 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.282 0 C-N-CA 122.995 2.463 . . . . 0.0 109.297 159.071 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -130.41 70.39 1.45 Allowed 'General case' 0 C--N 1.313 -0.992 0 CA-C-O 120.769 0.318 . . . . 0.0 110.42 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 35.9 t70 . . . . . 0 C--O 1.247 0.959 0 CA-C-O 118.706 -0.664 . . . . 0.0 110.3 178.029 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.499 ' HB ' ' CE2' ' A' ' 13' ' ' TYR . 30.3 p . . . . . 0 C--O 1.233 0.194 0 CA-C-O 121.457 0.646 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -80.99 130.23 34.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.639 -174.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.409 ' SG ' ' HB3' ' A' ' 13' ' ' TYR . 14.1 p -129.21 154.36 46.85 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.578 176.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 p -137.12 126.22 24.48 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.42 0.629 . . . . 0.0 112.199 -177.255 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 58.8 m -111.47 96.63 6.22 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.113 -0.949 . . . . 0.0 108.878 174.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.66 -113.75 5.24 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.609 -177.17 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.3 p-10 -95.51 -10.8 28.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.005 0.431 . . . . 0.0 110.168 177.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.41 ' HA ' ' O ' ' A' ' 40' ' ' PRO . 19.3 m -88.87 110.07 20.75 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.884 -176.324 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.541 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 17.3 ptpt -122.1 129.41 52.34 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.984 0.421 . . . . 0.0 111.126 -177.028 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.427 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -157.48 -140.02 2.84 Favored Glycine 0 N--CA 1.441 -0.974 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.304 -177.242 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.2 mm -127.78 136.79 59.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 -173.116 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.605 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 7.0 p90 -96.52 132.05 42.51 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 119.771 -0.772 . . . . 0.0 109.459 173.388 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.723 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 46.5 m95 -107.24 145.48 32.62 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.274 -175.627 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -77.75 108.51 11.02 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.785 0.326 . . . . 0.0 111.123 -173.742 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 51.99 60.24 3.98 Favored 'General case' 0 C--O 1.246 0.918 0 CA-C-N 115.085 -0.961 . . . . 0.0 112.012 175.402 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.723 ' HD2' ' HB3' ' A' ' 14' ' ' TRP . 65.4 mtt85 -130.75 89.1 44.32 Favored Pre-proline 0 C--N 1.343 0.304 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.186 -178.42 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_exo -72.26 3.08 4.35 Favored 'Trans proline' 0 C--O 1.248 1.02 0 C-N-CA 123.071 2.514 . . . . 0.0 111.606 176.69 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.7 m -107.2 81.95 1.61 Allowed 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.279 173.744 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.459 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 49.6 t -78.66 117.04 64.22 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.445 -179.29 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 20' ' ' CYS . 19.8 Cg_exo -64.47 124.37 13.2 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 123.008 2.472 . . . . 0.0 112.762 -174.653 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.57 25.39 0.33 Allowed 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.678 0.752 . . . . 0.0 111.097 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.4 ' H ' ' C ' ' A' ' 21' ' ' PRO . 10.4 t70 -94.61 -26.15 16.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.91 -177.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.511 ' HB2' ' CE2' ' A' ' 26' ' ' TYR . 22.5 mmm180 -99.79 17.09 21.6 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.009 -0.541 . . . . 0.0 112.209 -170.812 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 56.08 23.87 41.09 Favored Glycine 0 C--O 1.251 1.175 0 C-N-CA 121.243 -0.503 . . . . 0.0 113.613 175.449 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.511 ' CE2' ' HB2' ' A' ' 24' ' ' ARG . 43.0 m-85 -47.99 127.17 11.83 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 124.273 0.631 . . . . 0.0 111.416 179.648 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.478 ' H ' ' HA ' ' A' ' 40' ' ' PRO . 27.2 m -88.83 -37.73 15.15 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.383 -177.322 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -139.92 174.79 22.22 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.057 178.452 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.2 t -141.74 111.41 6.59 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.344 0.592 . . . . 0.0 109.773 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 56.5 m -105.25 144.57 31.86 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.55 -178.11 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 31' ' ' ARG . 8.7 tpt180 -80.54 114.75 19.66 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.056 -0.657 . . . . 0.0 110.295 176.639 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -98.87 150.46 21.87 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 174.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -59.61 -15.06 16.21 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -173.402 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.414 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 2.7 mm? -111.69 -9.25 14.14 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.436 ' HA3' ' O ' ' A' ' 14' ' ' TRP . . . 166.11 -145.91 10.5 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 119.593 -1.289 . . . . 0.0 113.941 179.094 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.411 ' O ' ' HA ' ' A' ' 13' ' ' TYR . 2.8 m -100.13 109.75 22.03 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.742 0.306 . . . . 0.0 110.95 -172.376 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.605 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 19.9 t -84.1 90.81 7.53 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.267 0.556 . . . . 0.0 109.844 178.614 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.464 ' HB3' ' CG ' ' A' ' 26' ' ' TYR . 97.2 m -87.33 115.74 24.95 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.641 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.427 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 11.5 p -123.01 112.59 30.24 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 112.864 0.69 . . . . 0.0 112.864 -170.5 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.541 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 31.5 Cg_endo -94.75 -83.51 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 122.736 2.291 . . . . 0.0 111.874 165.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.502 ' HA ' ' HG2' ' A' ' 10' ' ' LYS . . . 169.34 35.71 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 124.268 1.027 . . . . 0.0 108.519 -176.759 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.7 t70 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.58 -0.724 . . . . 0.0 110.419 -169.516 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.601 ' HB ' ' CE2' ' A' ' 13' ' ' TYR . 14.7 p . . . . . 0 N--CA 1.451 -0.423 0 CA-C-O 121.344 0.593 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.93 141.64 58.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.614 -175.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 41.3 t -147.0 157.31 43.58 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.383 -179.517 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 p -142.09 136.21 29.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.83 0.348 . . . . 0.0 111.556 -174.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 92.3 m -137.16 96.68 3.33 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.313 176.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.2 -112.02 3.73 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.877 -0.678 . . . . 0.0 111.834 178.646 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.8 p-10 -94.69 -13.07 26.14 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.18 0.514 . . . . 0.0 109.862 176.036 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.9 m -84.88 134.36 34.28 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.612 -173.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.544 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 19.7 ptpt -127.27 130.62 49.91 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.686 178.424 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.453 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -164.86 -141.52 3.15 Favored Glycine 0 N--CA 1.443 -0.851 0 C-N-CA 119.652 -1.261 . . . . 0.0 113.299 -176.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.4 mm -129.73 139.16 52.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -172.75 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.679 ' HE1' ' HB2' ' A' ' 34' ' ' LEU . 13.1 p90 -99.0 135.04 40.97 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 119.904 -0.718 . . . . 0.0 109.678 175.561 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 11.6 m95 -100.38 148.93 24.17 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.091 -0.959 . . . . 0.0 108.822 -176.416 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -79.3 84.33 5.24 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.271 0.557 . . . . 0.0 111.388 -174.766 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.714 ' H ' ' HA3' ' A' ' 35' ' ' GLY . 58.2 m-85 56.83 81.32 0.14 Allowed 'General case' 0 C--O 1.248 1.012 0 CA-C-N 114.714 -1.13 . . . . 0.0 111.887 178.39 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.426 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 12.3 mtp180 -144.83 93.76 5.56 Favored Pre-proline 0 N--CA 1.451 -0.391 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.232 179.283 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 17' ' ' ARG . 20.1 Cg_endo -61.84 -12.82 27.36 Favored 'Trans proline' 0 C--O 1.251 1.169 0 C-N-CA 122.417 2.078 . . . . 0.0 111.461 174.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.6 m -99.96 65.99 1.33 Allowed 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 114.781 -1.099 . . . . 0.0 109.39 178.126 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.419 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 47.9 t -92.51 117.2 67.52 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.643 -179.346 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 20' ' ' CYS . 15.9 Cg_exo -64.79 105.12 0.61 Allowed 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 123.127 2.551 . . . . 0.0 112.112 -174.321 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.426 ' HA ' ' HD2' ' A' ' 26' ' ' TYR . 5.2 p -77.96 8.98 3.98 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -173.548 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -76.67 -4.78 44.96 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.33 -176.441 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -90.37 2.57 55.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.095 173.75 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.67 41.59 23.77 Favored Glycine 0 C--O 1.247 0.948 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.349 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.426 ' HD2' ' HA ' ' A' ' 22' ' ' THR . 31.2 m-85 -68.57 121.47 16.48 Favored 'General case' 0 C--N 1.346 0.442 0 O-C-N 124.039 0.494 . . . . 0.0 110.859 -177.593 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 85.0 m -93.13 -45.2 7.99 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.91 -177.68 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -112.31 137.61 14.38 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.392 -177.148 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.6 t -124.79 106.66 10.21 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 177.047 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 20.6 m -120.29 168.53 11.16 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.044 -178.169 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.5 ttt180 -96.75 132.82 42.06 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 119.707 -0.797 . . . . 0.0 109.456 169.727 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -106.27 160.49 15.32 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 171.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.538 ' HB3' HD22 ' A' ' 34' ' ' LEU . 48.1 t80 -51.11 -32.4 22.54 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 118.113 0.415 . . . . 0.0 111.768 -176.251 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.679 ' HB2' ' HE1' ' A' ' 13' ' ' TYR . 2.3 mm? -106.32 1.99 26.29 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -174.589 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.714 ' HA3' ' H ' ' A' ' 16' ' ' TYR . . . 162.02 -138.42 5.39 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 118.969 -1.586 . . . . 0.0 114.805 175.609 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 47.6 m -104.31 114.86 29.38 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 122.838 0.455 . . . . 0.0 110.893 -172.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 43.3 t -83.73 106.96 15.85 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.609 -178.288 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 74.7 m -103.97 109.68 21.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.092 0.472 . . . . 0.0 109.814 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.453 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 21.6 p -120.19 112.42 34.63 Favored Pre-proline 0 C--N 1.322 -0.604 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -173.225 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.544 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 36.7 Cg_endo -91.8 -87.4 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 122.395 2.063 . . . . 0.0 111.715 168.058 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -179.4 34.81 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 -176.697 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.1 t70 . . . . . 0 C--O 1.252 1.202 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.235 -173.931 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.579 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 7.7 p . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 121.368 0.604 . . . . 0.0 110.636 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.425 ' HA ' ' O ' ' A' ' 11' ' ' GLY . . . -77.9 141.7 38.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.852 -173.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.514 ' SG ' ' HB3' ' A' ' 13' ' ' TYR . 26.8 p -140.57 166.19 25.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.498 177.147 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.3 m -130.07 140.12 50.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.005 0.431 . . . . 0.0 111.916 -176.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 86.6 m -123.07 79.48 1.67 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.59 173.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.5 -94.48 0.23 Allowed Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.685 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -95.4 -27.6 15.35 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.951 0.405 . . . . 0.0 110.536 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.9 m -84.28 141.04 31.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.387 -177.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.439 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 50.3 mtmt -136.49 134.08 37.23 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -179.424 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.642 ' HA3' ' HD2' ' A' ' 40' ' ' PRO . . . -167.86 -136.67 2.09 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.487 -0.864 . . . . 0.0 113.004 -178.197 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.8 mm -128.25 137.52 57.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 122.439 0.296 . . . . 0.0 110.331 -171.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.684 ' HE2' ' HB2' ' A' ' 34' ' ' LEU . 8.4 p90 -99.91 138.6 36.76 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.314 0.578 . . . . 0.0 110.055 176.418 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.441 ' O ' ' HA3' ' A' ' 35' ' ' GLY . 33.6 m95 -102.27 156.46 17.56 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.821 -178.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -90.31 111.82 23.16 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.811 -179.116 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.434 ' H ' ' HA3' ' A' ' 35' ' ' GLY . 66.8 m-85 49.35 80.27 0.07 Allowed 'General case' 0 C--O 1.253 1.248 0 O-C-N 124.208 0.942 . . . . 0.0 113.131 176.343 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -126.1 113.26 24.03 Favored Pre-proline 0 C--N 1.345 0.37 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.595 177.367 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -60.14 -12.57 20.01 Favored 'Trans proline' 0 C--O 1.251 1.137 0 C-N-CA 123.238 2.625 . . . . 0.0 112.861 -177.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.6 p -148.67 149.63 31.82 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.548 177.556 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.446 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 51.7 t -82.96 115.49 59.07 Favored Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 178.441 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 20' ' ' CYS . 20.8 Cg_exo -64.91 131.61 29.57 Favored 'Trans proline' 0 N--CA 1.464 -0.237 0 C-N-CA 122.784 2.323 . . . . 0.0 112.014 -177.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.9 m -79.29 55.72 1.94 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.301 0.572 . . . . 0.0 110.368 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -86.22 -67.48 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.782 -176.474 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.402 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 79.2 mtt180 -88.21 21.2 2.89 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.262 179.335 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 55.73 29.8 55.18 Favored Glycine 0 C--O 1.248 0.986 0 C-N-CA 120.414 -0.898 . . . . 0.0 111.9 -177.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.75 ' HD1' ' HD3' ' A' ' 40' ' ' PRO . 57.6 m-85 -38.33 138.9 0.42 Allowed 'General case' 0 C--N 1.348 0.54 0 O-C-N 125.024 1.073 . . . . 0.0 111.996 176.649 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.1 m -97.53 -49.29 4.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.967 -177.187 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.92 140.84 15.26 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 121.009 -0.615 . . . . 0.0 111.872 179.077 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.5 m -126.12 92.55 3.6 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.927 0.394 . . . . 0.0 110.48 178.676 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.0 m -106.04 163.44 12.76 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.4 ttt180 -96.03 134.54 38.94 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.516 -0.874 . . . . 0.0 109.748 171.086 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.582 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 13.2 t80 -107.51 164.1 12.5 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 173.684 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.474 ' HB2' HD22 ' A' ' 34' ' ' LEU . 97.6 m-85 -50.27 -35.79 28.67 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -175.594 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.684 ' HB2' ' HE2' ' A' ' 13' ' ' TYR . 2.4 mm? -100.47 -4.8 28.09 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -173.805 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.441 ' HA3' ' O ' ' A' ' 14' ' ' TRP . . . 163.96 -130.69 2.26 Favored Glycine 0 C--O 1.223 -0.584 0 C-N-CA 119.246 -1.454 . . . . 0.0 113.622 179.363 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.3 m -111.01 112.42 24.22 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.797 0.332 . . . . 0.0 111.32 -170.726 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.582 ' HB2' ' HB2' ' A' ' 32' ' ' TYR . 37.9 t -84.89 98.35 10.28 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.19 0.519 . . . . 0.0 109.891 -179.667 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.583 ' HB3' ' CG ' ' A' ' 26' ' ' TYR . 84.5 m -97.53 114.93 26.92 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.778 -178.69 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.469 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 20.5 p -120.3 116.07 32.5 Favored Pre-proline 0 C--N 1.319 -0.76 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -170.316 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.75 ' HD3' ' HD1' ' A' ' 26' ' ' TYR . 53.6 Cg_endo -84.25 -98.33 0.0 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.065 0 C-N-CA 121.845 1.697 . . . . 0.0 110.82 165.476 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -158.26 29.73 0.25 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.322 -0.236 . . . . 0.0 111.209 177.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.8 t70 . . . . . 0 C--O 1.246 0.889 0 CA-C-O 118.043 -0.979 . . . . 0.0 110.909 -175.48 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.3 p . . . . . 0 C--O 1.236 0.383 0 CA-C-O 121.344 0.592 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.54 ' HA ' ' O ' ' A' ' 11' ' ' GLY . . . -84.19 129.72 34.88 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.575 -174.868 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 14.1 p -120.34 143.9 48.14 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.138 174.703 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.4 m -119.5 127.79 53.36 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.418 0.628 . . . . 0.0 111.665 -176.226 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.405 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 62.6 m -116.31 80.12 1.41 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.092 -0.958 . . . . 0.0 108.977 175.808 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.75 -101.07 0.67 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.727 -176.897 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -91.07 -25.09 19.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.148 0.499 . . . . 0.0 110.282 178.237 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.405 ' HB2' ' HB2' ' A' ' 6' ' ' CYS . 14.7 m -78.77 134.41 37.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.412 -174.471 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -132.73 125.62 30.61 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 -178.547 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.564 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -158.22 -149.0 5.34 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 119.56 -1.305 . . . . 0.0 113.53 -177.477 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.0 mm -122.24 130.68 74.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.769 -0.216 . . . . 0.0 110.49 -172.106 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.534 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 8.7 p90 -95.97 139.57 31.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.351 0.596 . . . . 0.0 109.876 177.403 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.494 ' O ' ' HA3' ' A' ' 35' ' ' GLY . 28.7 m95 -107.62 149.2 28.35 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.179 -0.918 . . . . 0.0 108.831 -179.061 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -78.74 92.56 4.81 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.265 0.555 . . . . 0.0 111.473 -174.979 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.732 ' H ' ' HA3' ' A' ' 35' ' ' GLY . 61.6 m-85 58.52 73.75 0.46 Allowed 'General case' 0 C--O 1.251 1.17 0 CA-C-N 114.85 -1.068 . . . . 0.0 111.918 175.87 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 17' ' ' ARG . 14.5 mmt180 -113.84 108.42 51.26 Favored Pre-proline 0 C--N 1.344 0.368 0 CA-C-N 114.803 -1.089 . . . . 0.0 110.434 178.268 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -64.17 -11.32 27.13 Favored 'Trans proline' 0 C--O 1.248 0.99 0 C-N-CA 122.87 2.38 . . . . 0.0 112.192 179.285 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.1 m -131.7 121.72 24.72 Favored 'General case' 0 N--CA 1.448 -0.55 0 O-C-N 124.167 0.917 . . . . 0.0 110.108 -177.699 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.438 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 53.4 t -101.21 123.03 46.32 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.82 178.683 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 20' ' ' CYS . 11.6 Cg_exo -69.69 84.72 0.63 Allowed 'Trans proline' 0 N--CA 1.464 -0.226 0 C-N-CA 122.784 2.323 . . . . 0.0 111.707 179.496 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.7 t -76.79 -14.13 59.95 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.423 0.63 . . . . 0.0 109.628 -174.481 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -77.68 -10.5 59.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.819 -1.082 . . . . 0.0 109.57 177.188 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.4 tpt180 -78.52 -10.6 59.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.835 177.794 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.412 ' O ' ' HB3' ' A' ' 40' ' ' PRO . . . 104.7 30.89 4.72 Favored Glycine 0 C--O 1.246 0.906 0 C-N-CA 120.845 -0.693 . . . . 0.0 113.006 177.186 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.526 ' CD2' ' HB3' ' A' ' 38' ' ' CYS . 31.7 m-85 -90.57 137.66 32.18 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-O 120.868 0.366 . . . . 0.0 110.095 -179.742 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.1 m -91.08 -28.1 18.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.736 -174.455 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -155.42 163.92 31.79 Favored Glycine 0 N--CA 1.442 -0.924 0 C-N-CA 120.965 -0.636 . . . . 0.0 111.944 177.907 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.8 t -129.05 125.61 37.64 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 176.75 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 31.6 m -116.87 156.57 27.1 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.555 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.429 ' HD3' ' C ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -86.96 128.6 35.07 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 176.565 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.569 ' HD2' ' H ' ' A' ' 34' ' ' LEU . 22.8 t80 -115.92 150.04 37.75 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.9 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -52.51 -39.1 60.93 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.922 0.391 . . . . 0.0 111.193 -177.36 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.569 ' H ' ' HD2' ' A' ' 32' ' ' TYR . 2.4 mm? -94.82 -0.53 54.05 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -176.538 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.732 ' HA3' ' H ' ' A' ' 16' ' ' TYR . . . 160.82 -136.74 4.61 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 119.381 -1.39 . . . . 0.0 114.564 174.406 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.4 m -112.76 118.58 35.37 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 120.715 0.293 . . . . 0.0 110.399 -173.761 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.534 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 23.3 t -86.23 104.67 15.99 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 120.976 0.417 . . . . 0.0 110.319 -178.842 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.526 ' HB3' ' CD2' ' A' ' 26' ' ' TYR . 84.3 m -97.58 109.16 21.97 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 177.006 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.564 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 0.8 OUTLIER -131.93 128.23 21.45 Favored Pre-proline 0 N--CA 1.446 -0.65 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -168.004 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.412 ' HB3' ' O ' ' A' ' 25' ' ' GLY . 27.1 Cg_endo -99.39 -85.84 0.0 OUTLIER 'Trans proline' 0 N--CA 1.443 -1.456 0 C-N-CA 123.57 2.846 . . . . 0.0 111.862 164.858 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -175.17 73.96 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.849 -1.068 . . . . 0.0 108.895 -174.753 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.4 t70 . . . . . 0 C--O 1.247 0.934 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.342 -178.211 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.4 p . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 121.332 0.587 . . . . 0.0 110.698 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.88 151.23 31.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.408 -175.596 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 49.4 t -149.73 148.75 29.61 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.797 178.72 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.4 m -125.92 123.83 39.47 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.49 0.662 . . . . 0.0 111.5 -179.317 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.438 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 71.5 m -112.8 73.53 0.82 Allowed 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 115.145 -0.934 . . . . 0.0 108.52 173.208 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.62 -112.57 5.11 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.574 -175.216 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -81.17 -23.04 38.48 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.014 0.435 . . . . 0.0 110.235 179.165 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.438 ' HB2' ' HB2' ' A' ' 6' ' ' CYS . 13.3 m -84.23 105.14 14.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.285 -178.583 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -116.76 136.6 52.83 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 122.262 -0.274 . . . . 0.0 110.618 -178.833 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.457 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -173.31 -137.88 2.5 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.654 -177.628 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.5 mm -122.01 133.39 68.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.677 0.275 . . . . 0.0 110.686 -171.609 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.637 ' HE2' ' HB2' ' A' ' 34' ' ' LEU . 7.7 p90 -97.45 137.28 36.66 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 120.059 -0.657 . . . . 0.0 109.873 177.098 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.436 ' O ' ' HA3' ' A' ' 35' ' ' GLY . 7.6 m95 -100.52 159.1 15.42 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 -179.585 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -82.2 -159.34 0.3 Allowed 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 177.353 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -60.02 87.69 0.01 OUTLIER 'General case' 0 C--O 1.25 1.088 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 -177.925 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 62.2 mtp85 -146.04 98.9 4.35 Favored Pre-proline 0 C--N 1.343 0.309 0 CA-C-N 114.33 -1.305 . . . . 0.0 108.202 174.216 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_endo -61.19 -14.12 32.05 Favored 'Trans proline' 0 C--O 1.25 1.096 0 C-N-CA 122.993 2.462 . . . . 0.0 113.692 -172.559 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.1 m -114.85 88.98 2.99 Favored 'General case' 0 N--CA 1.451 -0.419 0 O-C-N 123.57 0.544 . . . . 0.0 111.308 -178.021 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.433 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 40.4 t -86.96 135.62 35.05 Favored Pre-proline 0 C--N 1.325 -0.464 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 172.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 20' ' ' CYS . 7.0 Cg_exo -73.54 79.64 2.14 Favored 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.812 2.342 . . . . 0.0 111.104 178.543 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.705 ' HA ' ' HD2' ' A' ' 26' ' ' TYR . 3.2 p -78.61 14.78 1.18 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -172.261 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -100.35 21.85 12.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.422 0.629 . . . . 0.0 109.586 176.283 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 53.8 mtp85 -112.87 37.55 3.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.926 -178.231 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.42 ' C ' ' HB3' ' A' ' 40' ' ' PRO . . . 87.23 -16.46 48.25 Favored Glycine 0 C--O 1.249 1.081 0 C-N-CA 120.877 -0.677 . . . . 0.0 112.626 177.859 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.705 ' HD2' ' HA ' ' A' ' 22' ' ' THR . 23.9 m-85 -50.32 119.68 3.91 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 124.555 0.797 . . . . 0.0 111.07 -177.513 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.0 m -95.09 -31.36 13.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.594 -176.767 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -127.96 146.43 16.67 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.801 179.15 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.456 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 7.6 t -129.22 92.21 3.33 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 175.247 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.3 m -103.71 159.69 15.41 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.519 -173.595 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.461 ' HD2' ' O ' ' A' ' 35' ' ' GLY . 10.2 tpt180 -85.52 131.81 34.3 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 174.884 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.544 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 8.4 t80 -117.83 159.81 22.45 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 175.161 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.428 ' HB2' HD22 ' A' ' 34' ' ' LEU . 74.2 m-85 -53.9 -28.97 39.78 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 112.268 0.469 . . . . 0.0 112.268 -175.592 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.637 ' HB2' ' HE2' ' A' ' 13' ' ' TYR . 2.1 mm? -109.28 -3.68 17.01 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.2 0.445 . . . . 0.0 112.2 -176.024 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.461 ' O ' ' HD2' ' A' ' 31' ' ' ARG . . . 168.87 -131.37 2.28 Favored Glycine 0 C--O 1.227 -0.338 0 C-N-CA 119.411 -1.376 . . . . 0.0 113.632 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 87.8 m -127.86 123.49 35.21 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.051 0.453 . . . . 0.0 111.364 -174.532 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.591 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 99.7 m -79.38 108.77 13.15 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.974 179.53 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 55.9 m -96.62 97.95 9.8 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 173.959 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.457 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 38.7 p -121.14 112.75 33.02 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.78 -167.283 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.42 ' HB3' ' C ' ' A' ' 25' ' ' GLY . 33.1 Cg_endo -96.62 -86.71 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.111 0 C-N-CA 122.945 2.43 . . . . 0.0 111.83 169.034 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -169.56 32.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.729 -1.212 . . . . 0.0 107.729 175.872 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.4 t70 . . . . . 0 C--O 1.252 1.231 0 CA-C-N 114.72 -1.127 . . . . 0.0 109.578 -169.904 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.4 p . . . . . 0 C--O 1.234 0.245 0 CA-C-O 121.138 0.494 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.98 148.02 52.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.199 -179.194 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.543 ' HB2' ' HB3' ' A' ' 13' ' ' TYR . 49.4 t -141.36 154.59 45.74 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.212 -179.4 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.9 m -131.28 134.06 46.01 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.134 0.492 . . . . 0.0 111.058 -178.825 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.466 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 68.8 m -120.96 78.0 1.35 Allowed 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 173.276 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.95 -114.68 7.06 Favored Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 111.398 -0.681 . . . . 0.0 111.398 -173.584 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -81.04 -20.78 40.93 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.461 0.172 . . . . 0.0 110.984 178.724 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.466 ' HB2' ' HB2' ' A' ' 6' ' ' CYS . 19.8 m -78.69 122.43 25.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.953 0.406 . . . . 0.0 109.994 -179.139 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.543 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 46.0 mmtm -115.67 142.25 46.99 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -178.369 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.481 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -174.92 -148.0 6.47 Favored Glycine 0 N--CA 1.448 -0.567 0 C-N-CA 120.069 -1.062 . . . . 0.0 112.832 179.792 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.9 mm -127.92 141.7 45.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 -176.113 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.543 ' HB3' ' HB2' ' A' ' 4' ' ' CYS . 0.6 OUTLIER -105.28 128.97 53.71 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 121.655 0.74 . . . . 0.0 110.503 176.975 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.551 ' O ' ' HA3' ' A' ' 35' ' ' GLY . 32.4 m95 -101.62 150.01 23.53 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 114.48 -1.236 . . . . 0.0 108.871 -178.534 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.516 ' HA ' ' O ' ' A' ' 34' ' ' LEU . 89.0 m-85 -79.4 100.69 7.75 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.985 0.422 . . . . 0.0 111.242 -176.439 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.569 ' H ' ' HA3' ' A' ' 35' ' ' GLY . 83.5 m-85 53.66 80.94 0.1 Allowed 'General case' 0 C--O 1.249 1.07 0 CA-C-N 114.694 -1.139 . . . . 0.0 112.732 175.606 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 17' ' ' ARG . 9.7 mmt180 -115.01 112.06 44.76 Favored Pre-proline 0 N--CA 1.452 -0.337 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.536 175.478 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -57.75 -17.84 31.15 Favored 'Trans proline' 0 C--O 1.249 1.07 0 C-N-CA 123.144 2.563 . . . . 0.0 112.49 -176.57 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.1 p -152.79 138.28 17.68 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.762 177.909 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.9 t -92.22 122.13 65.35 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.113 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -70.16 125.07 11.53 Favored 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 122.554 2.17 . . . . 0.0 111.328 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.22 68.9 4.34 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.265 0.555 . . . . 0.0 111.397 -175.282 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -89.64 -56.89 3.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.482 177.657 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -89.91 23.51 2.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.934 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 53.32 28.63 35.78 Favored Glycine 0 C--O 1.245 0.805 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.566 -179.743 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.646 ' HD1' ' HD3' ' A' ' 40' ' ' PRO . 64.3 m-85 -32.55 128.09 0.25 Allowed 'General case' 0 C--N 1.352 0.702 0 O-C-N 125.153 1.149 . . . . 0.0 112.704 179.607 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.441 ' OG1' ' HA ' ' A' ' 40' ' ' PRO . 6.3 m -82.98 -42.7 17.27 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.241 -175.35 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -129.66 162.29 22.84 Favored Glycine 0 N--CA 1.443 -0.864 0 CA-C-N 115.617 -0.719 . . . . 0.0 112.183 179.016 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.9 m -135.07 81.35 1.89 Allowed 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 177.565 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.605 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 35.0 m -76.32 136.08 39.58 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.705 -174.568 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.439 ' HD2' ' O ' ' A' ' 35' ' ' GLY . 1.0 OUTLIER -79.31 97.25 6.22 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 176.883 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.552 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 4.5 t80 -79.57 163.1 24.92 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 176.87 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.565 ' HB3' HD22 ' A' ' 34' ' ' LEU . 29.1 t80 -51.7 -35.55 43.27 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.623 0.249 . . . . 0.0 111.489 -174.49 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.565 HD22 ' HB3' ' A' ' 33' ' ' PHE . 2.8 mm? -115.28 16.74 16.8 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -177.045 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.569 ' HA3' ' H ' ' A' ' 16' ' ' TYR . . . 158.84 -143.44 9.27 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 118.304 -1.903 . . . . 0.0 115.219 173.845 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.42 ' O ' ' HA ' ' A' ' 13' ' ' TYR . 5.0 m -115.26 112.65 22.76 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.35 -0.425 . . . . 0.0 111.407 -170.126 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.605 ' HB2' ' HB2' ' A' ' 30' ' ' CYS . 66.6 m -79.73 93.04 5.49 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.35 174.54 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.432 ' HB3' ' CD1' ' A' ' 26' ' ' TYR . 91.3 m -79.36 105.47 10.7 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 175.767 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.481 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 28.0 p -127.07 111.42 21.72 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -170.697 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.646 ' HD3' ' HD1' ' A' ' 26' ' ' TYR . 20.1 Cg_endo -93.52 -83.9 0.0 OUTLIER 'Trans proline' 0 N--CA 1.445 -1.367 0 C-N-CA 122.528 2.152 . . . . 0.0 110.223 161.318 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.414 ' HA ' ' H ' ' A' ' 10' ' ' LYS . . . -161.88 27.33 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.606 172.979 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.9 t70 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.384 -0.817 . . . . 0.0 110.618 -171.602 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.236 0.392 0 CA-C-O 121.354 0.597 . . . . 0.0 110.662 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.423 ' HA ' ' O ' ' A' ' 11' ' ' GLY . . . -74.16 133.52 42.77 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.588 -175.133 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 46.9 t -134.01 151.52 51.48 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.303 176.924 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.5 m -131.02 136.09 48.17 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.405 0.621 . . . . 0.0 111.478 -178.039 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.7 m -118.32 88.53 2.94 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.99 -1.005 . . . . 0.0 108.393 171.674 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.36 -109.31 2.79 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 -173.543 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 28.1 p-10 -103.21 -5.41 23.18 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.801 0.334 . . . . 0.0 110.192 176.965 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.7 t -82.9 127.33 33.4 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 178.409 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -133.31 144.2 49.52 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.157 -173.587 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.512 ' HA2' ' HB3' ' A' ' 42' ' ' ASP . . . -176.75 -134.92 2.06 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.366 -179.844 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 47.1 mm -126.75 134.99 64.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 -173.397 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.447 ' HE2' ' HB2' ' A' ' 34' ' ' LEU . 25.4 p90 -101.27 143.8 30.89 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.179 -0.608 . . . . 0.0 109.972 176.115 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.568 ' O ' ' HA3' ' A' ' 35' ' ' GLY . 30.4 m95 -109.04 137.52 46.82 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.088 -173.681 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.522 ' O ' ' HG2' ' A' ' 17' ' ' ARG . 99.2 m-85 -78.56 122.19 25.59 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.462 -174.495 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 16' ' ' TYR . . . . . 0.452 ' O ' ' HD3' ' A' ' 18' ' ' PRO . 30.8 p90 48.27 20.73 0.3 Allowed 'General case' 0 C--O 1.25 1.086 0 C-N-CA 124.53 1.132 . . . . 0.0 113.19 -177.377 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.524 ' HB2' ' CB ' ' A' ' 14' ' ' TRP . 22.8 mmm180 -99.92 103.37 21.8 Favored Pre-proline 0 C--N 1.343 0.314 0 O-C-N 123.505 0.503 . . . . 0.0 110.084 179.902 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.452 ' HD3' ' O ' ' A' ' 16' ' ' TYR . 88.0 Cg_endo -89.99 39.48 0.4 Allowed 'Trans proline' 0 C--O 1.249 1.071 0 C-N-CA 123.068 2.512 . . . . 0.0 112.617 -177.35 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.8 t -155.04 119.72 4.8 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.769 -178.723 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 94.3 m -92.93 121.34 66.02 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.303 179.79 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.53 118.98 5.67 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 123.085 2.523 . . . . 0.0 112.237 178.029 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.9 m -78.34 2.55 18.21 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.361 0.6 . . . . 0.0 111.08 -176.416 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -79.73 -44.65 20.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.77 -177.962 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.4 ttp85 -97.86 39.29 1.23 Allowed 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 121.14 0.495 . . . . 0.0 110.82 -176.44 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.451 ' O ' ' HB3' ' A' ' 40' ' ' PRO . . . 46.68 36.46 8.22 Favored Glycine 0 C--O 1.249 1.072 0 CA-C-N 114.84 -1.073 . . . . 0.0 115.427 167.403 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.535 ' HD1' ' HD3' ' A' ' 40' ' ' PRO . 57.9 m-85 -61.88 119.44 8.81 Favored 'General case' 0 C--N 1.344 0.339 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 174.481 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.5 m -92.55 -39.26 11.46 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.3 -170.379 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -113.22 153.91 17.27 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.938 -0.648 . . . . 0.0 111.856 -179.065 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.9 t -140.21 105.19 4.98 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.171 0.51 . . . . 0.0 109.73 179.366 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 33.6 m -115.1 157.31 23.74 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.664 -178.518 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -92.11 124.7 36.39 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.366 0.603 . . . . 0.0 110.005 175.83 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.578 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 7.3 t80 -110.65 155.05 22.94 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 176.038 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -46.96 -41.22 15.8 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.773 0.32 . . . . 0.0 111.504 -177.825 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.447 ' HB2' ' HE2' ' A' ' 13' ' ' TYR . 2.5 mm? -89.48 -15.6 32.71 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -174.362 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.568 ' HA3' ' O ' ' A' ' 14' ' ' TRP . . . 170.84 -138.32 4.88 Favored Glycine 0 C--O 1.223 -0.584 0 C-N-CA 119.715 -1.231 . . . . 0.0 113.333 -178.747 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.1 m -117.7 123.81 46.98 Favored 'General case' 0 C--N 1.317 -0.817 0 O-C-N 122.422 -0.458 . . . . 0.0 111.144 -175.974 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.578 ' SG ' ' HB2' ' A' ' 32' ' ' TYR . 80.5 m -81.44 107.13 13.96 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.064 178.745 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 37.3 m -98.87 105.34 17.47 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 176.836 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.423 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 39.7 p -119.51 116.17 33.59 Favored Pre-proline 0 C--N 1.323 -0.585 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -169.804 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.535 ' HD3' ' HD1' ' A' ' 26' ' ' TYR . 33.0 Cg_endo -96.57 -90.1 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 122.581 2.187 . . . . 0.0 111.028 163.385 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -154.6 37.95 0.42 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 173.933 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.512 ' HB3' ' HA2' ' A' ' 11' ' ' GLY . 35.3 t70 . . . . . 0 C--O 1.253 1.238 0 CA-C-N 114.791 -1.095 . . . . 0.0 110.426 -172.375 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 18.6 p . . . . . 0 N--CA 1.451 -0.413 0 CA-C-O 121.248 0.547 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.39 135.8 44.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.177 -177.918 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 42.0 t -136.0 152.84 51.34 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.031 -179.066 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.0 m -129.24 134.15 47.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.025 0.441 . . . . 0.0 110.926 -178.302 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 87.7 m -123.99 90.5 3.28 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.143 178.213 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.27 -96.12 0.11 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 121.062 -0.589 . . . . 0.0 112.501 179.207 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -91.61 -36.41 13.68 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.08 0.467 . . . . 0.0 110.56 179.477 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.0 m -83.52 144.02 29.8 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.373 -172.345 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.567 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -133.48 135.8 44.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.223 178.046 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.464 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -166.42 -137.71 2.28 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.16 -1.019 . . . . 0.0 112.844 -178.175 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 51.1 mm -127.39 137.2 58.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 -173.214 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.523 ' HE2' ' HB2' ' A' ' 34' ' ' LEU . 10.0 p90 -99.71 138.04 37.35 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 119.966 -0.694 . . . . 0.0 110.038 177.098 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 34.2 m95 -107.71 144.6 34.6 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.637 -176.091 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -79.36 122.14 26.01 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.926 0.393 . . . . 0.0 111.769 -173.728 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 49.93 32.98 6.04 Favored 'General case' 0 C--O 1.248 1.002 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 170.138 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.468 ' HD3' ' O ' ' A' ' 19' ' ' SER . 7.0 ptp180 -108.6 111.8 61.0 Favored Pre-proline 0 N--CA 1.454 -0.274 0 C-N-CA 119.891 -0.723 . . . . 0.0 110.157 169.058 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -78.01 9.0 3.2 Favored 'Trans proline' 0 C--O 1.251 1.137 0 C-N-CA 122.703 2.269 . . . . 0.0 112.09 178.21 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.468 ' O ' ' HD3' ' A' ' 17' ' ' ARG . 43.3 t -123.11 111.34 16.42 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.506 177.92 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.1 t -85.77 128.83 56.96 Favored Pre-proline 0 C--N 1.32 -0.685 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.647 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.441 ' HD2' ' SG ' ' A' ' 38' ' ' CYS . 59.6 Cg_endo -71.88 -177.95 2.86 Favored 'Trans proline' 0 N--CA 1.463 -0.283 0 C-N-CA 122.622 2.215 . . . . 0.0 111.828 178.495 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.6 p -131.98 34.47 3.83 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.115 0.484 . . . . 0.0 110.664 -179.4 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -77.93 -28.38 49.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.705 -173.226 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -110.11 9.62 24.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.748 -0.206 . . . . 0.0 111.551 -179.143 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.96 55.3 30.5 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.29 -0.957 . . . . 0.0 110.977 -172.279 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.477 ' CD1' ' HB3' ' A' ' 38' ' ' CYS . 87.6 m-85 -63.16 142.79 58.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.041 0.448 . . . . 0.0 110.989 -174.568 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 59.6 m -100.24 -47.53 4.92 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.055 -176.049 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -122.21 137.94 11.75 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.363 -0.922 . . . . 0.0 113.081 -177.707 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.0 t -112.05 123.9 51.26 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 175.369 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.695 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 16.0 m -132.72 165.46 24.46 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.087 -172.747 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -103.62 119.77 39.57 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 174.346 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.626 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 0.7 OUTLIER -112.4 165.28 12.34 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 174.56 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.549 ' HB2' HD22 ' A' ' 34' ' ' LEU . 45.7 m-85 -50.21 -33.78 20.59 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -170.151 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.549 HD22 ' HB2' ' A' ' 33' ' ' PHE . 2.1 mm? -108.73 -3.31 17.92 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -173.227 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.65 -147.75 11.66 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 119.348 -1.406 . . . . 0.0 114.102 -179.259 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.6 m -110.65 123.85 50.78 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.889 0.376 . . . . 0.0 110.982 -173.218 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.695 ' HB2' ' HB2' ' A' ' 30' ' ' CYS . 64.4 m -84.31 111.07 19.08 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.454 -179.237 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.477 ' HB3' ' CD1' ' A' ' 26' ' ' TYR . 90.5 m -97.82 103.75 15.72 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 173.396 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.464 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 53.3 p -119.15 111.97 36.51 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -170.437 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.567 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 31.6 Cg_endo -94.27 -80.23 0.0 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 122.759 2.306 . . . . 0.0 112.288 167.876 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.406 ' HA ' ' HG2' ' A' ' 10' ' ' LYS . . . -176.64 35.48 0.0 OUTLIER 'General case' 0 C--N 1.334 -0.084 0 C-N-CA 122.985 0.514 . . . . 0.0 110.027 -176.9 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.446 ' OXT' ' HE3' ' A' ' 10' ' ' LYS . 23.1 t70 . . . . . 0 C--O 1.246 0.914 0 CA-C-O 118.386 -0.816 . . . . 0.0 110.079 -176.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.716 0 N-CA-C 111.709 -0.556 . . . . 0.0 111.709 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.548 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 4.9 p -79.18 87.75 4.9 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.361 0.6 . . . . 0.0 110.514 179.285 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.74 138.69 55.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.158 -0.928 . . . . 0.0 112.213 -173.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 53.6 t -142.4 148.71 38.29 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.084 175.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.7 p -133.09 134.01 43.71 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 120.971 0.415 . . . . 0.0 110.773 -178.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 76.9 m -124.11 92.36 3.65 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 176.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.67 -87.94 0.36 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 121.146 -0.55 . . . . 0.0 111.808 -178.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -118.61 -17.17 9.35 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.177 0.513 . . . . 0.0 110.353 177.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.1 m -79.34 133.78 36.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.649 -178.104 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.493 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 95.8 mttt -121.72 131.19 53.94 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -177.231 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.544 ' CA ' ' HD2' ' A' ' 40' ' ' PRO . . . -162.53 -150.28 5.95 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 119.734 -1.222 . . . . 0.0 114.019 -177.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.3 mm -125.39 136.8 59.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.298 -0.451 . . . . 0.0 110.161 -171.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.548 ' CE1' ' HB ' ' A' ' 2' ' ' THR . 20.6 p90 -106.65 141.9 37.16 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.585 177.431 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.555 ' HB3' ' HB2' ' A' ' 17' ' ' ARG . 24.7 m95 -105.4 137.97 42.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.227 -175.247 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.453 ' CE2' HG21 ' A' ' 2' ' ' THR . 98.4 m-85 -79.18 106.61 11.34 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.337 -175.613 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.436 ' O ' ' HD3' ' A' ' 18' ' ' PRO . 86.1 m-85 58.68 16.64 4.5 Favored 'General case' 0 C--O 1.248 1.023 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 175.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.555 ' HB2' ' HB3' ' A' ' 14' ' ' TRP . 17.3 mmm180 -91.15 108.41 28.21 Favored Pre-proline 0 C--N 1.343 0.293 0 O-C-N 123.642 0.589 . . . . 0.0 110.26 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.436 ' HD3' ' O ' ' A' ' 16' ' ' TYR . 6.2 Cg_exo -79.17 4.86 6.2 Favored 'Trans proline' 0 C--O 1.247 0.949 0 C-N-CA 123.144 2.562 . . . . 0.0 111.357 178.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.5 m -113.21 91.82 3.78 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.17 -177.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.4 t -97.9 112.98 63.09 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.037 178.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -70.97 100.95 1.02 Allowed 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.909 2.406 . . . . 0.0 111.377 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.0 t -77.29 -4.02 42.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.206 0.527 . . . . 0.0 110.721 -171.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -77.61 -2.11 34.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.891 -177.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -93.08 19.78 7.53 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.017 0.437 . . . . 0.0 110.292 176.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.56 30.33 66.7 Favored Glycine 0 C--O 1.25 1.139 0 CA-C-N 115.789 -0.641 . . . . 0.0 113.112 176.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -71.05 130.3 41.18 Favored 'General case' 0 C--N 1.347 0.493 0 O-C-N 123.791 0.348 . . . . 0.0 110.491 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.4 m -95.97 -44.35 7.4 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.959 -175.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -126.95 168.23 19.17 Favored Glycine 0 N--CA 1.443 -0.893 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.41 -178.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.6 m -140.39 115.29 9.66 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 177.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 33.6 m -117.74 160.02 22.04 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.306 -176.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -90.0 109.38 20.42 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.139 0.495 . . . . 0.0 109.813 175.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.59 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 20.5 t80 -94.62 151.19 19.51 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 176.479 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.557 ' HB2' HD22 ' A' ' 34' ' ' LEU . 83.1 m-85 -44.31 -48.95 9.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 123.277 0.36 . . . . 0.0 111.865 -177.244 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.557 HD22 ' HB2' ' A' ' 33' ' ' PHE . 2.7 mm? -96.15 3.2 53.42 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -173.022 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.462 ' HA3' ' O ' ' A' ' 14' ' ' TRP . . . 161.44 -156.53 28.02 Favored Glycine 0 C--N 1.332 0.339 0 C-N-CA 118.873 -1.632 . . . . 0.0 114.535 177.326 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.2 m -87.24 118.02 26.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.38 -0.41 . . . . 0.0 111.027 -173.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.59 ' HB2' ' HB2' ' A' ' 32' ' ' TYR . 17.8 t -89.48 109.22 20.17 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.948 0.404 . . . . 0.0 110.779 -179.015 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 62.3 m -101.79 107.73 19.02 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.764 178.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.479 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 1.8 p -113.36 113.35 48.57 Favored Pre-proline 0 C--N 1.325 -0.476 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -172.655 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.544 ' HD2' ' CA ' ' A' ' 11' ' ' GLY . 74.0 Cg_endo -92.5 -105.44 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.179 0 C-N-CA 122.926 2.417 . . . . 0.0 110.869 163.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -160.24 56.83 0.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.981 0.42 . . . . 0.0 109.977 175.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 34.5 t70 . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.7 -176.447 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.822 0 N-CA-C 111.693 -0.563 . . . . 0.0 111.693 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 16.7 p -83.97 63.72 7.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.435 0.636 . . . . 0.0 111.058 -178.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.18 144.84 54.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.331 -178.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 30.9 t -152.41 148.72 27.79 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.642 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 p -141.18 128.24 20.75 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.233 0.539 . . . . 0.0 112.43 -177.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 61.1 m -105.87 86.32 2.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.239 174.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.0 -104.94 0.88 Allowed Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.165 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -84.65 -29.76 25.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.751 0.31 . . . . 0.0 110.55 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.4 m -80.74 120.99 25.34 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 -176.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.529 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 95.1 mttt -123.37 134.25 54.02 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.391 -0.226 . . . . 0.0 110.391 -175.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.495 ' HA3' ' HD2' ' A' ' 40' ' ' PRO . . . -171.87 -137.62 2.37 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.412 -0.899 . . . . 0.0 113.121 -178.003 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 42.3 mm -128.93 139.57 51.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 C-N-CA 122.359 0.263 . . . . 0.0 110.383 -172.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.716 ' HE2' ' HB2' ' A' ' 34' ' ' LEU . 5.6 p90 -103.54 139.18 39.22 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 119.857 -0.737 . . . . 0.0 110.468 177.567 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 15.9 m95 -105.26 148.45 26.97 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.275 -177.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.461 ' HA ' ' O ' ' A' ' 34' ' ' LEU . 89.0 m-85 -79.54 95.99 6.0 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.873 0.368 . . . . 0.0 111.468 -175.576 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.859 ' H ' ' HA3' ' A' ' 35' ' ' GLY . 68.5 m-85 54.39 76.27 0.25 Allowed 'General case' 0 C--O 1.249 1.032 0 CA-C-N 114.804 -1.089 . . . . 0.0 111.838 176.089 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -116.23 114.84 40.72 Favored Pre-proline 0 N--CA 1.452 -0.35 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.568 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -76.2 10.63 2.03 Favored 'Trans proline' 0 C--O 1.252 1.201 0 C-N-CA 123.032 2.488 . . . . 0.0 112.219 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.8 m -154.38 110.43 3.23 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.807 177.106 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.0 t -86.5 122.19 72.0 Favored Pre-proline 0 C--N 1.319 -0.736 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 176.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.645 ' HB2' ' HD3' ' A' ' 24' ' ' ARG . 37.1 Cg_endo -68.67 74.19 0.88 Allowed 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.843 2.362 . . . . 0.0 112.033 178.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.477 ' HA ' ' HB2' ' A' ' 26' ' ' TYR . 8.8 t -77.4 3.51 13.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.487 -171.754 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -79.72 -5.11 54.58 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.318 0.58 . . . . 0.0 109.666 175.022 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.645 ' HD3' ' HB2' ' A' ' 21' ' ' PRO . 26.6 mtp180 -107.46 38.9 2.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.151 -175.255 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.433 ' O ' ' HB3' ' A' ' 40' ' ' PRO . . . 89.29 -18.15 47.25 Favored Glycine 0 C--O 1.249 1.045 0 C-N-CA 120.834 -0.698 . . . . 0.0 113.667 172.394 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.608 ' HE2' ' HG2' ' A' ' 21' ' ' PRO . 26.3 m-85 -55.84 135.08 52.15 Favored 'General case' 0 C--N 1.347 0.478 0 O-C-N 123.755 0.327 . . . . 0.0 110.886 -178.485 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 13.2 t -116.8 -19.66 9.8 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.07 0.462 . . . . 0.0 110.191 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -131.88 154.97 21.2 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 121.113 -0.565 . . . . 0.0 111.993 178.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.6 m -141.21 87.61 2.1 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.161 0.505 . . . . 0.0 109.772 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 12.1 m -92.43 151.43 20.23 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.645 -176.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.442 HH11 ' HD3' ' A' ' 31' ' ' ARG . 7.2 tpt180 -79.64 110.99 15.49 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.297 0.57 . . . . 0.0 109.57 173.438 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.551 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 43.4 t80 -99.7 158.31 15.86 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 177.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.558 ' HB2' HD22 ' A' ' 34' ' ' LEU . 92.5 m-85 -45.85 -49.49 15.29 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.83 0.348 . . . . 0.0 111.796 -178.117 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.716 ' HB2' ' HE2' ' A' ' 13' ' ' TYR . 2.6 mm? -98.17 9.42 42.97 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -174.33 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.859 ' HA3' ' H ' ' A' ' 16' ' ' TYR . . . 153.24 -135.06 4.68 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 119.073 -1.537 . . . . 0.0 114.529 172.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.8 m -106.11 110.69 23.02 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.899 0.38 . . . . 0.0 110.926 -171.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.551 ' HB2' ' HB2' ' A' ' 32' ' ' TYR . 39.7 t -83.5 98.17 9.4 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.1 0.476 . . . . 0.0 110.075 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 97.2 m -91.92 108.66 20.09 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.831 -179.047 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.447 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 9.2 p -117.46 116.77 36.83 Favored Pre-proline 0 C--N 1.317 -0.808 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -172.425 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.529 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 38.2 Cg_endo -90.85 -98.44 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.115 0 C-N-CA 122.695 2.263 . . . . 0.0 111.126 164.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -153.96 21.96 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.187 0.517 . . . . 0.0 110.187 174.261 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.7 t70 . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.308 -0.853 . . . . 0.0 110.28 -173.155 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.64 0 N-CA-C 111.789 -0.524 . . . . 0.0 111.789 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.8 p -79.78 69.89 6.2 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.312 0.577 . . . . 0.0 110.497 177.382 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.416 ' HA ' ' O ' ' A' ' 11' ' ' GLY . . . -77.98 137.39 38.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.979 -173.59 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.575 ' SG ' ' HB3' ' A' ' 13' ' ' TYR . 26.7 p -141.48 158.15 44.22 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.114 176.111 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 p -142.8 133.53 25.31 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.035 0.445 . . . . 0.0 111.136 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 19.2 p -134.17 132.49 39.87 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 178.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.59 -102.38 0.74 Allowed Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.814 -0.707 . . . . 0.0 111.461 -175.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -129.68 9.71 5.5 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.604 0.24 . . . . 0.0 110.973 178.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.6 p -109.71 138.26 46.34 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.106 0.479 . . . . 0.0 111.438 -178.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.531 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 49.6 mtpt -116.9 136.9 52.59 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.232 -178.221 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.507 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -169.87 -142.6 3.62 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.101 -1.047 . . . . 0.0 113.395 179.055 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.402 HD13 ' HA ' ' A' ' 3' ' ' ALA . 47.1 mm -126.07 132.08 70.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 -172.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.582 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 9.0 p90 -94.87 139.78 30.83 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.087 -0.645 . . . . 0.0 109.956 177.01 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.463 ' O ' ' HA3' ' A' ' 35' ' ' GLY . 41.7 m95 -106.22 150.32 26.0 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.422 -178.378 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.417 ' HA ' ' O ' ' A' ' 34' ' ' LEU . 91.2 m-85 -80.14 96.11 6.44 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.811 0.339 . . . . 0.0 111.42 -175.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.802 ' H ' ' HA3' ' A' ' 35' ' ' GLY . 82.5 m-85 51.6 78.63 0.11 Allowed 'General case' 0 C--O 1.251 1.16 0 CA-C-N 114.922 -1.036 . . . . 0.0 112.391 176.722 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.433 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 17.9 mmt180 -116.47 121.74 32.87 Favored Pre-proline 0 C--N 1.344 0.355 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.816 179.353 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 17' ' ' ARG . 26.9 Cg_exo -62.64 -12.38 28.14 Favored 'Trans proline' 0 C--O 1.25 1.117 0 C-N-CA 123.222 2.615 . . . . 0.0 113.102 -175.625 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.1 m -147.79 144.68 28.38 Favored 'General case' 0 N--CA 1.452 -0.345 0 O-C-N 123.752 0.658 . . . . 0.0 109.829 179.017 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.4 t -99.87 121.23 54.93 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.188 176.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.439 ' O ' ' HD2' ' A' ' 26' ' ' TYR . 46.7 Cg_endo -70.27 87.68 0.61 Allowed 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 122.362 2.041 . . . . 0.0 111.699 177.47 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.4 p -77.11 -8.83 58.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.375 0.607 . . . . 0.0 110.479 -176.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -79.14 -11.73 59.98 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.875 177.287 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.57 33.57 1.42 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.568 178.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.592 ' O ' ' HB3' ' A' ' 40' ' ' PRO . . . 90.18 -30.22 6.06 Favored Glycine 0 C--O 1.247 0.925 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.903 175.788 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.622 ' HD1' ' HD3' ' A' ' 40' ' ' PRO . 37.7 m-85 -58.75 129.42 42.02 Favored 'General case' 0 C--N 1.346 0.43 0 O-C-N 124.178 0.575 . . . . 0.0 110.741 -177.084 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.4 m -104.59 -40.27 6.08 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.079 0.466 . . . . 0.0 110.766 -175.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -110.94 149.08 17.81 Favored Glycine 0 N--CA 1.441 -0.988 0 C-N-CA 120.954 -0.641 . . . . 0.0 111.663 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.9 p -128.09 90.87 3.16 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.198 0.523 . . . . 0.0 110.207 179.067 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 59.7 m -96.37 145.11 25.9 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.33 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.47 ' HD3' ' C ' ' A' ' 31' ' ' ARG . 0.1 OUTLIER -82.83 123.94 29.84 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.344 -0.542 . . . . 0.0 109.56 -179.74 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.449 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 31.8 t80 -108.67 154.46 21.97 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 179.269 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -48.93 -39.34 25.81 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.945 0.402 . . . . 0.0 111.773 -177.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.567 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 2.6 mm? -94.96 -2.2 50.95 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -175.44 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.802 ' HA3' ' H ' ' A' ' 16' ' ' TYR . . . 158.38 -128.01 1.99 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 119.635 -1.269 . . . . 0.0 114.051 174.138 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.5 m -114.3 111.6 21.76 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 120.892 0.377 . . . . 0.0 110.842 -173.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.582 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 43.0 t -83.46 99.13 9.9 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.002 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.516 ' HB3' ' CG ' ' A' ' 26' ' ' TYR . 94.1 m -92.47 115.39 28.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.148 -179.267 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.507 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 21.5 p -122.77 114.97 29.62 Favored Pre-proline 0 C--N 1.322 -0.588 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 -170.141 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.622 ' HD3' ' HD1' ' A' ' 26' ' ' TYR . 29.1 Cg_endo -97.49 -93.34 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.127 0 C-N-CA 123.054 2.503 . . . . 0.0 111.257 161.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -157.62 57.1 0.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.596 175.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 33.9 t70 . . . . . 0 C--O 1.246 0.891 0 CA-C-O 118.507 -0.759 . . . . 0.0 110.922 -176.577 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.823 0 N-CA-C 112.011 -0.436 . . . . 0.0 112.011 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.511 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 16.9 p -84.64 68.34 10.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.557 0.694 . . . . 0.0 110.387 178.199 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.33 137.43 56.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.878 -175.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 43.4 t -141.72 154.56 45.37 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.236 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.6 m -146.34 140.87 26.71 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.443 0.639 . . . . 0.0 111.792 -177.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 59.7 m -130.75 94.86 3.71 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.814 -1.084 . . . . 0.0 108.507 174.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.16 -118.88 7.64 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.654 -0.784 . . . . 0.0 111.68 -176.026 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -88.84 -14.06 37.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.066 0.46 . . . . 0.0 109.884 175.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.5 m -79.31 118.04 20.86 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.766 -177.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.616 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 36.2 mtmm -122.56 134.21 54.54 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.848 -176.318 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.439 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -166.57 -146.34 4.81 Favored Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 120.191 -1.004 . . . . 0.0 113.002 -177.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 47.1 mm -127.31 138.8 53.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -173.238 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.548 ' HE2' ' HB2' ' A' ' 34' ' ' LEU . 5.4 p90 -101.68 137.0 40.57 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.39 177.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 22.9 m95 -102.44 144.64 30.64 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.583 -177.116 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -79.43 102.18 8.59 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.784 -0.189 . . . . 0.0 111.071 -177.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 55.89 61.28 2.85 Favored 'General case' 0 C--O 1.253 1.253 0 O-C-N 123.806 0.692 . . . . 0.0 111.815 176.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.1 mtp180 -141.46 72.91 25.45 Favored Pre-proline 0 C--N 1.343 0.324 0 O-C-N 123.91 0.756 . . . . 0.0 110.761 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -58.77 -19.79 48.23 Favored 'Trans proline' 0 C--O 1.25 1.097 0 C-N-CA 122.685 2.257 . . . . 0.0 111.674 -178.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.9 m -90.69 69.9 6.65 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.024 177.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.3 t -71.93 123.32 89.28 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.651 -176.165 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -78.94 102.29 1.52 Allowed 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 122.609 2.206 . . . . 0.0 111.339 178.144 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.57 ' HA ' ' HD2' ' A' ' 26' ' ' TYR . 6.0 t -79.2 65.29 4.33 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 122.318 1.056 . . . . 0.0 111.205 -175.737 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -79.6 -29.11 41.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.305 176.124 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.7 mtm180 -106.85 20.49 18.96 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.994 -177.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.445 ' O ' ' HB3' ' A' ' 40' ' ' PRO . . . 66.84 52.83 30.84 Favored Glycine 0 C--O 1.248 1.027 0 CA-C-N 116.07 -0.514 . . . . 0.0 113.452 175.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.57 ' HD2' ' HA ' ' A' ' 22' ' ' THR . 61.2 m-85 -66.03 121.2 14.59 Favored 'General case' 0 C--N 1.346 0.454 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.0 m -88.68 -45.74 9.58 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.211 -171.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -120.84 159.37 15.49 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.515 -175.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.7 t -128.92 122.83 31.1 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 177.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.446 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 56.1 m -124.65 151.26 45.13 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 178.207 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.13 102.17 14.89 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.132 -0.627 . . . . 0.0 109.369 177.559 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.636 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 34.9 t80 -84.38 157.53 21.41 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.465 -0.788 . . . . 0.0 109.298 -178.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.624 ' HB3' HD22 ' A' ' 34' ' ' LEU . 25.4 t80 -44.68 -46.79 10.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 123.471 0.482 . . . . 0.0 112.086 -176.354 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.624 HD22 ' HB3' ' A' ' 33' ' ' PHE . 2.9 mm? -102.47 6.09 39.89 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -174.627 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 161.21 -144.78 10.17 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 118.713 -1.708 . . . . 0.0 114.441 177.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.2 m -98.12 115.75 28.92 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 122.513 0.325 . . . . 0.0 111.128 -172.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.636 ' HB2' ' HB2' ' A' ' 32' ' ' TYR . 37.8 t -87.28 108.22 18.85 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.9 0.381 . . . . 0.0 110.757 -179.276 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 60.2 m -100.27 111.4 23.68 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.057 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.439 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 16.5 p -119.89 113.6 34.35 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -173.227 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.616 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 24.6 Cg_endo -95.39 -90.63 0.0 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.305 0 C-N-CA 122.918 2.412 . . . . 0.0 111.042 163.441 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -168.25 50.9 0.05 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.226 179.187 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.423 ' OD1' ' HA2' ' A' ' 11' ' ' GLY . 5.6 p-10 . . . . . 0 C--O 1.251 1.153 0 CA-C-O 118.186 -0.912 . . . . 0.0 110.758 -177.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.63 0 N-CA-C 112.202 -0.359 . . . . 0.0 112.202 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.7 p -82.74 62.06 6.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.368 0.604 . . . . 0.0 110.819 178.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -80.84 150.88 28.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.621 -176.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 14.6 p -145.14 161.72 38.8 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.462 176.306 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 p -133.62 134.48 43.29 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.379 0.609 . . . . 0.0 111.797 -175.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 70.7 m -127.17 89.86 3.04 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.664 176.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.87 -108.09 2.36 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 121.006 -0.616 . . . . 0.0 111.96 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -102.4 -5.72 23.81 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.971 0.415 . . . . 0.0 110.666 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.0 m -101.05 126.19 47.71 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.142 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.507 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -126.74 143.09 51.35 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 -178.094 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.478 ' N ' HG22 ' A' ' 39' ' ' THR . . . -170.38 -143.63 4.02 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.372 -0.918 . . . . 0.0 112.745 -178.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 44.7 mm -124.82 140.68 47.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -173.058 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.547 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 2.0 p90 -97.05 131.74 43.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.482 0.658 . . . . 0.0 109.98 177.49 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 20.9 m95 -97.15 154.95 17.05 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 114.81 -1.086 . . . . 0.0 109.169 -179.231 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -85.71 83.38 7.88 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.791 0.329 . . . . 0.0 110.322 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.497 ' H ' ' HA3' ' A' ' 35' ' ' GLY . 81.5 m-85 67.45 86.88 0.13 Allowed 'General case' 0 C--O 1.249 1.065 0 CA-C-N 114.942 -1.026 . . . . 0.0 111.975 177.732 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -131.5 87.73 45.62 Favored Pre-proline 0 C--N 1.346 0.444 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.018 177.221 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -64.03 -7.65 14.04 Favored 'Trans proline' 0 C--O 1.248 1.001 0 C-N-CA 123.123 2.549 . . . . 0.0 112.317 179.149 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.0 m -136.65 66.55 1.48 Allowed 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.45 175.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.436 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 34.7 t -64.75 125.08 88.13 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.164 -179.079 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 20' ' ' CYS . 8.2 Cg_exo -69.33 108.38 1.98 Allowed 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 123.224 2.616 . . . . 0.0 111.879 -177.351 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 37.1 p -79.03 29.18 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -171.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -77.21 -22.33 52.48 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.651 0.262 . . . . 0.0 111.372 -172.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -79.71 -0.89 36.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.506 0.669 . . . . 0.0 109.742 172.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.59 45.55 7.83 Favored Glycine 0 C--O 1.246 0.85 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -176.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -62.83 129.29 39.78 Favored 'General case' 0 C--N 1.347 0.483 0 O-C-N 124.244 0.614 . . . . 0.0 111.029 -175.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.4 m -96.36 -48.21 5.68 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.677 -177.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -120.73 153.12 16.71 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.705 -178.015 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.7 p -129.03 82.01 2.06 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.474 0.654 . . . . 0.0 109.902 177.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.487 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 47.7 m -84.77 159.48 20.45 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.227 -176.432 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 31' ' ' ARG . 8.3 tpt180 -90.47 117.83 29.47 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.007 0.432 . . . . 0.0 110.129 177.321 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -102.62 156.87 17.33 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 177.025 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.614 ' HB2' HD22 ' A' ' 34' ' ' LEU . 62.0 m-85 -49.24 -38.75 27.73 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -174.734 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.614 HD22 ' HB2' ' A' ' 33' ' ' PHE . 2.2 mm? -108.27 7.03 27.11 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.376 0.509 . . . . 0.0 112.376 -174.361 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.497 ' HA3' ' H ' ' A' ' 16' ' ' TYR . . . 163.2 -140.01 6.24 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 118.899 -1.619 . . . . 0.0 114.324 177.096 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.7 m -110.62 113.46 26.1 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.822 0.344 . . . . 0.0 111.195 -170.336 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.547 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 25.3 t -80.53 99.44 8.06 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.417 179.418 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 64.6 m -93.02 107.68 19.42 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.996 -178.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.478 HG22 ' N ' ' A' ' 11' ' ' GLY . 6.1 p -116.0 107.19 48.37 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 115.756 -0.657 . . . . 0.0 112.7 -171.33 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.507 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 74.1 Cg_endo -92.89 -94.68 0.0 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.076 0 C-N-CA 122.631 2.221 . . . . 0.0 111.425 166.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -151.06 17.19 0.76 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.456 0.646 . . . . 0.0 109.488 176.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.253 1.252 0 CA-C-O 118.202 -0.904 . . . . 0.0 109.825 -172.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.779 0 N-CA-C 111.987 -0.445 . . . . 0.0 111.987 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.571 ' HB ' ' CE2' ' A' ' 13' ' ' TYR . 18.5 p -82.69 74.1 9.68 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.26 0.553 . . . . 0.0 111.041 -177.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.03 140.2 57.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.514 -176.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 54.1 t -146.01 154.32 41.75 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.461 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.3 t -139.12 141.47 38.09 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.5 0.667 . . . . 0.0 111.399 -178.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 83.1 m -122.65 81.01 1.8 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.908 -1.042 . . . . 0.0 108.812 174.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.56 -95.44 0.53 Allowed Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.1 -179.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -108.92 -10.97 15.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.728 0.299 . . . . 0.0 110.866 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.2 m -90.02 109.02 20.09 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 177.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.498 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 27.9 mtmm -108.11 143.39 36.93 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.591 -178.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.43 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -170.87 -141.23 3.25 Favored Glycine 0 N--CA 1.441 -0.981 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.436 -179.458 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.6 mm -129.04 137.16 57.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -174.366 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.571 ' CE2' ' HB ' ' A' ' 2' ' ' THR . 3.1 p90 -95.38 131.06 41.9 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 119.881 -0.728 . . . . 0.0 109.448 175.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.42 ' O ' ' HA3' ' A' ' 35' ' ' GLY . 40.8 m95 -98.88 144.57 27.93 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.971 -176.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -78.32 101.49 7.22 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.835 0.35 . . . . 0.0 110.271 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.418 ' H ' ' HA3' ' A' ' 35' ' ' GLY . 80.6 m-85 62.36 77.96 0.31 Allowed 'General case' 0 C--O 1.251 1.153 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.691 177.45 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 86.2 mmt-85 -135.47 71.86 65.45 Favored Pre-proline 0 C--N 1.346 0.443 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.644 176.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.28 -21.43 22.85 Favored 'Trans proline' 0 C--O 1.25 1.091 0 C-N-CA 122.922 2.414 . . . . 0.0 112.404 -177.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.3 t -127.68 87.9 2.7 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 175.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.2 t -66.83 129.68 94.04 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.56 -171.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -75.0 98.12 1.14 Allowed 'Trans proline' 0 N--CA 1.461 -0.408 0 C-N-CA 122.843 2.362 . . . . 0.0 111.126 176.178 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.568 ' HA ' ' CD2' ' A' ' 26' ' ' TYR . 5.0 t -79.02 87.19 4.83 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 122.177 0.989 . . . . 0.0 111.187 -175.137 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -83.0 -28.0 30.0 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.968 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -128.07 36.66 4.28 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.032 0.444 . . . . 0.0 111.417 -174.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.48 ' O ' ' HB3' ' A' ' 40' ' ' PRO . . . 61.93 56.69 21.13 Favored Glycine 0 C--O 1.25 1.1 0 CA-C-N 115.749 -0.66 . . . . 0.0 113.248 177.079 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.568 ' CD2' ' HA ' ' A' ' 22' ' ' THR . 23.1 m-85 -59.48 118.05 5.58 Favored 'General case' 0 C--N 1.345 0.372 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 176.135 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.3 m -86.47 -37.66 18.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.795 0.331 . . . . 0.0 110.921 -171.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -123.75 157.3 18.15 Favored Glycine 0 N--CA 1.441 -1.001 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.083 178.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.8 m -133.81 82.86 2.0 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 176.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.473 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 36.3 m -85.35 157.38 20.55 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.374 -178.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.404 ' HA ' ' HD2' ' A' ' 31' ' ' ARG . 7.1 tpt180 -89.2 122.87 32.91 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.277 177.292 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -108.05 156.39 19.31 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.631 -0.878 . . . . 0.0 108.631 176.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.526 ' HB2' HD22 ' A' ' 34' ' ' LEU . 94.6 m-85 -47.0 -44.34 20.15 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -175.587 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.526 HD22 ' HB2' ' A' ' 33' ' ' PHE . 2.7 mm? -101.19 1.26 38.86 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -173.799 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.42 ' HA3' ' O ' ' A' ' 14' ' ' TRP . . . 165.87 -143.36 8.35 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 119.073 -1.537 . . . . 0.0 114.117 178.427 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.2 m -106.42 118.07 35.68 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.162 0.506 . . . . 0.0 111.378 -172.249 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.501 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 41.2 t -81.96 96.98 7.87 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.157 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.456 ' HB3' ' CG ' ' A' ' 26' ' ' TYR . 57.4 m -91.77 109.08 20.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.027 -177.441 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.43 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 16.6 p -124.32 112.95 27.86 Favored Pre-proline 0 C--N 1.322 -0.626 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 -170.28 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.498 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 37.9 Cg_endo -98.98 -94.69 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.145 0 C-N-CA 123.022 2.481 . . . . 0.0 111.544 163.431 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -152.72 45.5 0.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 175.044 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.7 t70 . . . . . 0 C--O 1.249 1.047 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.075 -171.904 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.779 0 N-CA-C 111.668 -0.573 . . . . 0.0 111.668 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.6 ' HB ' ' CE2' ' A' ' 13' ' ' TYR . 18.2 p -79.94 71.61 6.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.277 0.56 . . . . 0.0 110.476 178.044 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.64 163.23 14.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.482 -174.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.4 p -156.1 163.58 39.47 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.155 176.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.3 t -141.43 138.91 33.25 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.446 0.641 . . . . 0.0 111.315 -175.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 55.8 m -121.24 78.42 1.41 Allowed 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.056 -0.975 . . . . 0.0 108.875 176.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.14 -100.22 0.38 Allowed Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.529 -0.759 . . . . 0.0 112.299 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -86.13 -31.32 21.91 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.776 0.322 . . . . 0.0 110.849 -179.278 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.1 m -86.25 129.29 34.9 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.15 -177.255 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.628 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 9.7 ptpp? -130.65 137.67 49.7 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 121.158 -0.217 . . . . 0.0 110.504 -177.547 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -170.18 -142.83 3.71 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.062 -1.066 . . . . 0.0 113.593 -177.136 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.6 mm -127.3 141.69 45.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -171.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.613 ' HE1' ' HB2' ' A' ' 34' ' ' LEU . 3.0 p90 -97.93 134.68 40.72 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 121.501 0.667 . . . . 0.0 110.111 177.613 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 22.5 m95 -104.06 167.86 9.49 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.957 -1.02 . . . . 0.0 109.179 179.222 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -97.99 105.8 18.0 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 120.61 0.243 . . . . 0.0 110.772 -177.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.521 ' H ' ' HA3' ' A' ' 35' ' ' GLY . 62.3 m-85 53.99 73.99 0.35 Allowed 'General case' 0 C--O 1.25 1.107 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.924 178.21 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.7 mmt180 -119.58 111.2 36.43 Favored Pre-proline 0 C--N 1.341 0.234 0 CA-C-N 116.207 -0.452 . . . . 0.0 109.969 177.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -62.97 -12.39 29.32 Favored 'Trans proline' 0 C--O 1.249 1.069 0 C-N-CA 123.024 2.483 . . . . 0.0 111.929 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.2 p -159.24 134.67 8.45 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 114.804 -1.089 . . . . 0.0 109.242 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 73.7 m -78.98 128.7 75.56 Favored Pre-proline 0 C--N 1.318 -0.8 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.45 178.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -62.42 92.67 0.13 Allowed 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.477 2.118 . . . . 0.0 110.294 174.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.0 t -79.79 55.45 2.05 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.679 0.752 . . . . 0.0 112.497 -166.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -79.66 -38.81 32.84 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 174.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 -84.39 2.73 39.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.885 179.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.06 58.7 5.48 Favored Glycine 0 C--O 1.249 1.081 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.333 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -63.0 124.97 22.45 Favored 'General case' 0 C--N 1.347 0.475 0 CA-C-O 121.039 0.447 . . . . 0.0 110.806 -177.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.2 m -100.26 -28.96 12.72 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.212 0.53 . . . . 0.0 110.61 -173.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -123.66 137.74 11.08 Favored Glycine 0 N--CA 1.443 -0.849 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.68 177.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.9 m -117.66 82.15 1.78 Allowed 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 178.145 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.637 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 59.5 m -87.99 163.96 16.04 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.042 -177.203 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.438 ' HD3' ' C ' ' A' ' 31' ' ' ARG . 0.2 OUTLIER -100.91 128.56 46.89 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 177.672 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.448 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 18.5 t80 -113.44 152.78 29.64 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.416 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.596 ' HB2' HD22 ' A' ' 34' ' ' LEU . 70.5 m-85 -43.12 -44.08 4.8 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -176.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.613 ' HB2' ' HE1' ' A' ' 13' ' ' TYR . 2.1 mm? -97.36 -6.52 33.98 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -172.618 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.521 ' HA3' ' H ' ' A' ' 16' ' ' TYR . . . 170.34 -126.07 1.3 Allowed Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 119.829 -1.177 . . . . 0.0 113.897 179.05 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.1 m -115.27 122.8 47.06 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.697 0.284 . . . . 0.0 110.978 -172.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.637 ' HB3' ' HB2' ' A' ' 30' ' ' CYS . 38.9 t -88.07 96.98 10.72 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.205 0.526 . . . . 0.0 109.597 179.373 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 57.8 m -90.67 108.75 20.01 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.077 -176.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.8 p -120.56 113.32 33.53 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -172.117 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.628 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 35.7 Cg_endo -97.14 -79.83 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.17 0 C-N-CA 122.442 2.095 . . . . 0.0 111.967 163.781 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.482 ' HA ' ' HG2' ' A' ' 10' ' ' LYS . . . -176.56 43.08 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 -175.63 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.8 t70 . . . . . 0 C--O 1.247 0.939 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.503 -172.666 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.714 0 N-CA-C 112.092 -0.403 . . . . 0.0 112.092 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.463 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 18.5 p -85.61 68.44 10.41 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.097 0.475 . . . . 0.0 110.574 178.029 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.492 ' HA ' HD13 ' A' ' 12' ' ' ILE . . . -61.68 145.89 50.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.099 -178.152 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 42.1 t -150.5 163.68 37.83 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.403 -177.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m -146.85 144.02 29.01 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.44 -178.246 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.2 t -152.29 122.66 7.24 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 176.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.33 -122.54 30.18 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.814 -0.708 . . . . 0.0 111.796 -175.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -94.86 -9.93 32.84 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.829 0.347 . . . . 0.0 110.883 177.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.6 p -95.73 138.43 33.4 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.019 0.438 . . . . 0.0 111.343 -174.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.413 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 58.6 mttp -127.82 140.24 52.16 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.315 178.249 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -167.24 -132.11 1.36 Allowed Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.627 -176.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.492 HD13 ' HA ' ' A' ' 3' ' ' ALA . 50.0 mm -132.3 137.96 53.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -175.16 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.643 ' HE2' ' HB2' ' A' ' 34' ' ' LEU . 11.0 p90 -100.64 139.18 36.69 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.081 -0.647 . . . . 0.0 110.025 177.443 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.458 ' HB3' ' HG3' ' A' ' 17' ' ' ARG . 20.4 m95 -103.6 146.41 28.6 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.729 -177.286 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -79.38 95.08 5.65 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.667 ' H ' ' HA3' ' A' ' 35' ' ' GLY . 84.2 m-85 58.1 76.04 0.35 Allowed 'General case' 0 C--O 1.25 1.12 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.024 178.346 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.458 ' HG3' ' HB3' ' A' ' 14' ' ' TRP . 17.1 mmm180 -131.51 82.83 60.48 Favored Pre-proline 0 C--N 1.343 0.305 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.677 177.439 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.41 -24.33 34.89 Favored 'Trans proline' 0 C--O 1.248 1.014 0 C-N-CA 123.607 2.871 . . . . 0.0 113.042 -174.05 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.9 t -106.9 91.09 3.52 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.481 -0.781 . . . . 0.0 108.974 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.0 t -69.23 116.32 41.1 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.101 -179.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -60.26 115.93 2.98 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.898 2.399 . . . . 0.0 112.134 -176.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.0 t -85.26 23.86 1.22 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.366 0.603 . . . . 0.0 110.377 -176.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -78.69 -25.93 44.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.9 -174.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -118.76 38.99 3.61 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.803 -0.359 . . . . 0.0 111.9 -179.25 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 55.22 25.41 39.84 Favored Glycine 0 C--O 1.25 1.126 0 N-CA-C 114.595 0.598 . . . . 0.0 114.595 171.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -48.21 120.86 3.84 Favored 'General case' 0 C--N 1.349 0.575 0 O-C-N 124.0 0.47 . . . . 0.0 110.332 175.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.6 m -83.65 -45.76 13.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.985 -171.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -121.19 156.16 16.28 Favored Glycine 0 N--CA 1.441 -1.006 0 C-N-CA 120.978 -0.63 . . . . 0.0 112.136 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.417 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 9.2 t -139.26 103.01 4.64 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 176.323 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 56.9 m -113.88 146.4 40.07 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.551 -176.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.406 ' HD3' ' C ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -78.16 110.14 12.88 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.501 0.667 . . . . 0.0 109.734 -178.815 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.64 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 43.5 t80 -93.21 158.81 15.57 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 114.893 -1.049 . . . . 0.0 108.694 179.566 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.57 ' HB2' HD22 ' A' ' 34' ' ' LEU . 53.0 m-85 -43.04 -48.16 6.02 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -176.536 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.643 ' HB2' ' HE2' ' A' ' 13' ' ' TYR . 3.0 mm? -92.82 -7.56 46.03 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 -174.002 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.667 ' HA3' ' H ' ' A' ' 16' ' ' TYR . . . 165.96 -128.98 1.85 Allowed Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 118.953 -1.594 . . . . 0.0 114.304 178.122 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.6 m -111.1 109.37 19.42 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.057 0.456 . . . . 0.0 111.043 -171.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.64 ' HB2' ' HB2' ' A' ' 32' ' ' TYR . 39.1 t -85.46 110.48 19.2 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.469 -178.126 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 82.9 m -103.55 116.13 31.81 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.051 0.453 . . . . 0.0 110.001 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.6 p -124.39 113.58 27.6 Favored Pre-proline 0 C--N 1.321 -0.669 0 N-CA-C 112.913 0.709 . . . . 0.0 112.913 -172.057 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.413 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 37.0 Cg_endo -96.7 -90.33 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 122.787 2.325 . . . . 0.0 111.16 165.349 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -163.85 31.61 0.08 Allowed 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 175.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.5 t70 . . . . . 0 C--O 1.246 0.889 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.476 -168.339 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.517 0 N-CA-C 111.951 -0.46 . . . . 0.0 111.951 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.554 HG22 ' CE1' ' A' ' 13' ' ' TYR . 1.1 m -79.64 63.08 4.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.472 0.653 . . . . 0.0 109.617 177.336 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.458 ' HA ' ' O ' ' A' ' 11' ' ' GLY . . . -66.83 138.92 57.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.884 -1.053 . . . . 0.0 112.337 -173.247 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 52.5 t -146.77 166.78 25.6 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.811 -1.086 . . . . 0.0 108.421 176.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.3 t -146.5 143.37 28.89 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.25 0.547 . . . . 0.0 111.941 -175.241 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 72.2 m -125.82 94.32 4.08 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.019 -0.991 . . . . 0.0 108.904 173.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.87 -104.78 1.6 Allowed Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.761 -0.733 . . . . 0.0 111.323 -176.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -103.58 -13.81 16.41 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.997 0.427 . . . . 0.0 110.012 176.06 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.3 m -78.69 134.86 37.08 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.665 -177.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.421 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 34.6 mtmm -131.6 142.14 49.82 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.045 -175.696 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.458 ' O ' ' HA ' ' A' ' 3' ' ' ALA . . . -175.43 -137.81 2.63 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.352 -0.928 . . . . 0.0 112.634 -178.723 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.415 HG23 ' HB ' ' A' ' 2' ' ' THR . 48.9 mm -123.64 134.95 64.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 -172.689 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.563 ' HE2' ' HB2' ' A' ' 34' ' ' LEU . 5.3 p90 -104.28 133.03 49.87 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 120.046 -0.662 . . . . 0.0 110.209 175.494 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.446 ' O ' ' HA3' ' A' ' 35' ' ' GLY . 65.3 m95 -93.26 164.86 13.07 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.245 -176.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -105.37 104.85 14.66 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 120.564 -0.454 . . . . 0.0 111.661 -174.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.427 ' H ' ' HA3' ' A' ' 35' ' ' GLY . 87.7 m-85 59.57 67.51 0.88 Allowed 'General case' 0 C--O 1.25 1.119 0 CA-C-N 115.05 -0.977 . . . . 0.0 112.131 176.225 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.447 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 50.9 mtt180 -124.46 121.14 25.93 Favored Pre-proline 0 C--N 1.346 0.414 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.512 175.491 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 17' ' ' ARG . 33.2 Cg_exo -60.91 -13.97 30.03 Favored 'Trans proline' 0 C--O 1.252 1.187 0 C-N-CA 123.417 2.744 . . . . 0.0 113.042 -178.684 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 59.1 p -138.8 144.55 39.39 Favored 'General case' 0 N--CA 1.45 -0.472 0 O-C-N 123.696 0.622 . . . . 0.0 110.582 -178.071 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 41.8 t -93.97 116.17 66.1 Favored Pre-proline 0 C--N 1.322 -0.615 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 174.649 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 20' ' ' CYS . 21.5 Cg_exo -65.18 98.12 0.31 Allowed 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 122.824 2.349 . . . . 0.0 112.034 -179.432 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.0 p -79.08 16.88 0.84 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.217 0.532 . . . . 0.0 111.245 -176.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -78.96 -12.7 60.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.878 177.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.5 ' HB2' ' CE2' ' A' ' 26' ' ' TYR . 17.5 mmm180 -107.63 27.48 9.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.285 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.96 14.19 44.36 Favored Glycine 0 C--O 1.251 1.16 0 CA-C-O 119.662 -0.521 . . . . 0.0 114.324 173.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.619 ' CG ' ' HB3' ' A' ' 38' ' ' CYS . 31.1 m-85 -53.53 133.27 41.07 Favored 'General case' 0 C--N 1.347 0.459 0 O-C-N 123.878 0.399 . . . . 0.0 111.177 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 91.7 m -94.42 -50.6 5.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.777 -176.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -105.69 144.93 15.86 Favored Glycine 0 N--CA 1.442 -0.913 0 N-CA-C 111.608 -0.597 . . . . 0.0 111.608 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.5 p -128.19 87.96 2.68 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.524 0.678 . . . . 0.0 109.756 178.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 16.8 m -103.54 136.21 43.69 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.757 -176.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.74 114.96 18.11 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 177.647 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.464 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 2.0 t80 -102.25 158.11 16.42 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -178.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -49.43 -40.79 37.95 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 111.849 0.315 . . . . 0.0 111.849 -172.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.563 ' HB2' ' HE2' ' A' ' 13' ' ' TYR . 2.3 mm? -91.9 -13.86 30.56 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 112.392 0.515 . . . . 0.0 112.392 -176.314 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.446 ' HA3' ' O ' ' A' ' 14' ' ' TRP . . . 168.83 -133.69 2.95 Favored Glycine 0 C--O 1.225 -0.453 0 C-N-CA 119.298 -1.43 . . . . 0.0 114.146 -179.683 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.23 105.79 15.37 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.713 0.292 . . . . 0.0 111.323 -170.133 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.464 ' HB2' ' HB2' ' A' ' 32' ' ' TYR . 51.5 t -80.36 98.08 7.31 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.975 0.417 . . . . 0.0 110.177 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.619 ' HB3' ' CG ' ' A' ' 26' ' ' TYR . 73.4 m -101.34 114.84 29.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.293 -178.554 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.3 p -125.68 111.28 25.27 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -169.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.522 ' HD3' ' HD1' ' A' ' 26' ' ' TYR . 42.1 Cg_endo -97.27 -90.11 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 122.795 2.33 . . . . 0.0 111.217 165.515 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -157.24 32.53 0.28 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 174.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.9 t70 . . . . . 0 C--O 1.248 1.002 0 CA-C-N 115.184 -0.917 . . . . 0.0 110.544 -171.877 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.601 0 N-CA-C 111.603 -0.599 . . . . 0.0 111.603 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.44 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 16.9 p -82.58 69.16 9.3 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.125 0.488 . . . . 0.0 110.642 179.283 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.473 ' HA ' HD13 ' A' ' 12' ' ' ILE . . . -75.85 143.7 41.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.758 -176.079 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.488 ' SG ' ' HB3' ' A' ' 13' ' ' TYR . 30.8 p -145.58 174.41 11.19 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.471 175.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.5 m -144.98 140.45 28.2 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.24 0.543 . . . . 0.0 111.646 -177.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 79.6 m -121.11 80.48 1.65 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.532 173.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.03 -98.25 0.62 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 121.011 -0.614 . . . . 0.0 111.888 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -94.3 -24.08 17.57 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.97 0.414 . . . . 0.0 110.527 178.338 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.8 m -81.3 127.1 32.36 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.517 -176.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.444 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 62.0 mttm -120.07 131.37 55.07 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -178.157 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.483 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -168.92 -141.23 3.15 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 119.566 -1.302 . . . . 0.0 113.586 -178.165 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.473 HD13 ' HA ' ' A' ' 3' ' ' ALA . 50.1 mm -128.93 136.22 60.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.573 -0.313 . . . . 0.0 110.187 -171.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.488 ' HB3' ' SG ' ' A' ' 4' ' ' CYS . 22.9 p90 -97.66 139.74 33.1 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.333 -0.547 . . . . 0.0 109.65 176.072 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 35.1 m95 -109.86 149.96 29.1 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.425 -177.111 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -79.46 88.94 5.02 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.104 0.478 . . . . 0.0 111.182 -176.119 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.428 ' H ' ' HA3' ' A' ' 35' ' ' GLY . 88.4 m-85 63.52 64.43 0.81 Allowed 'General case' 0 C--O 1.248 1.02 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.919 176.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.406 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 10.4 mmt180 -100.57 118.67 60.5 Favored Pre-proline 0 C--N 1.345 0.387 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.162 174.706 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 17' ' ' ARG . 9.7 Cg_exo -71.49 -1.62 10.04 Favored 'Trans proline' 0 C--O 1.248 0.982 0 C-N-CA 122.861 2.374 . . . . 0.0 111.997 -179.196 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.3 t -160.16 133.62 6.94 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.221 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 89.4 m -80.0 123.98 83.27 Favored Pre-proline 0 C--N 1.321 -0.642 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 176.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.433 ' HB2' ' HE2' ' A' ' 26' ' ' TYR . 83.4 Cg_exo -42.4 108.85 0.11 Allowed 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 123.28 2.653 . . . . 0.0 112.281 178.487 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.2 t -77.4 -3.46 40.35 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.792 -169.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.46 ' HB2' ' NH1' ' A' ' 24' ' ' ARG . 3.6 m-20 -79.21 -22.06 45.43 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.301 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.46 ' NH1' ' HB2' ' A' ' 23' ' ' ASP . 2.3 mpp_? -104.59 17.89 23.27 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.629 -178.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 49.68 32.92 17.82 Favored Glycine 0 C--O 1.25 1.121 0 N-CA-C 114.959 0.744 . . . . 0.0 114.959 171.087 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.433 ' HE2' ' HB2' ' A' ' 21' ' ' PRO . 44.0 m-85 -53.45 131.21 37.73 Favored 'General case' 0 C--N 1.345 0.411 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 174.06 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.5 m -96.02 -46.38 6.53 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.134 0.492 . . . . 0.0 110.804 -174.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -99.95 155.89 19.64 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.633 178.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 39.9 m -144.88 76.56 1.5 Allowed 'General case' 0 C--N 1.319 -0.717 0 CA-C-O 121.566 0.698 . . . . 0.0 109.551 -179.14 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.7 m -92.76 140.31 29.65 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.076 -175.577 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -79.07 103.82 9.28 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 176.386 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.599 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 25.4 t80 -90.51 157.16 17.69 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.193 -0.912 . . . . 0.0 108.919 -178.627 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.448 ' HB2' HD22 ' A' ' 34' ' ' LEU . 58.2 m-85 -41.91 -45.38 3.72 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 123.56 0.538 . . . . 0.0 112.301 -177.013 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.469 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 2.1 mm? -90.24 -17.68 27.04 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -173.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.428 ' HA3' ' H ' ' A' ' 16' ' ' TYR . . . 170.63 -129.13 1.74 Allowed Glycine 0 C--O 1.227 -0.339 0 C-N-CA 119.574 -1.298 . . . . 0.0 113.616 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.8 m -108.91 108.9 19.84 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.832 0.349 . . . . 0.0 110.781 -174.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.599 ' HB2' ' HB2' ' A' ' 32' ' ' TYR . 49.8 t -80.76 97.91 7.53 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.953 179.417 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.416 ' HB3' ' CG ' ' A' ' 26' ' ' TYR . 56.3 m -94.57 107.3 19.29 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.485 -178.746 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.483 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 7.4 p -119.29 113.55 35.25 Favored Pre-proline 0 C--N 1.322 -0.629 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -170.15 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.444 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 31.6 Cg_endo -92.41 -93.6 0.0 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.28 0 C-N-CA 122.337 2.025 . . . . 0.0 110.992 165.496 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -163.64 49.5 0.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 175.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.2 t70 . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.917 -173.911 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.921 0 N-CA-C 111.993 -0.443 . . . . 0.0 111.993 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.511 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 16.6 p -79.63 68.56 5.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.379 0.609 . . . . 0.0 110.643 179.234 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.69 150.13 28.17 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.737 -175.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.44 ' SG ' ' HB3' ' A' ' 13' ' ' TYR . 25.6 p -149.52 176.99 10.13 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.026 175.734 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.5 m -148.47 143.84 26.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.038 0.447 . . . . 0.0 111.42 -178.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 84.9 m -121.87 93.32 3.96 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.568 175.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.61 -96.6 0.58 Allowed Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.755 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -102.59 -21.12 14.22 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.699 0.285 . . . . 0.0 110.618 178.173 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.0 p -83.49 145.02 29.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.82 0.343 . . . . 0.0 110.984 -173.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.554 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 28.0 mtmt -125.66 146.38 49.75 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.523 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -174.94 -149.83 7.46 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.011 -1.09 . . . . 0.0 113.037 178.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.4 mm -124.74 136.61 60.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 -173.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.571 ' CE2' ' HB2' ' A' ' 34' ' ' LEU . 20.9 p90 -99.24 141.21 32.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.317 0.579 . . . . 0.0 109.947 177.451 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.566 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 42.5 m95 -105.39 151.4 24.25 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.921 -1.036 . . . . 0.0 108.778 -178.48 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -79.89 93.28 5.63 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 120.923 0.392 . . . . 0.0 111.064 -175.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.604 ' H ' ' HA3' ' A' ' 35' ' ' GLY . 75.0 m-85 58.73 74.46 0.44 Allowed 'General case' 0 C--O 1.248 1.009 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.772 177.756 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.566 ' HD2' ' HB3' ' A' ' 14' ' ' TRP . 53.2 mtt180 -137.78 80.88 29.89 Favored Pre-proline 0 N--CA 1.452 -0.367 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.975 177.532 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.47 -17.68 35.36 Favored 'Trans proline' 0 C--O 1.25 1.097 0 C-N-CA 123.421 2.748 . . . . 0.0 112.742 -175.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.5 m -113.74 88.11 2.77 Favored 'General case' 0 N--CA 1.449 -0.519 0 O-C-N 124.116 0.885 . . . . 0.0 109.05 177.169 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.4 t -79.1 135.8 58.05 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.914 -174.437 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -69.55 90.24 0.5 Allowed 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 123.008 2.472 . . . . 0.0 110.954 176.175 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.441 ' HA ' ' HD2' ' A' ' 26' ' ' TYR . 12.5 t -78.7 13.0 1.81 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.784 -169.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.458 ' HB2' HH11 ' A' ' 24' ' ' ARG . 4.2 m-20 -76.35 -7.89 55.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.196 0.522 . . . . 0.0 110.446 -177.065 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.458 HH11 ' HB2' ' A' ' 23' ' ' ASP . 7.3 mpt_? -88.47 4.02 48.03 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.932 178.217 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.515 ' O ' ' HB3' ' A' ' 40' ' ' PRO . . . 85.27 26.49 36.34 Favored Glycine 0 C--O 1.248 0.987 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.973 -179.732 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.447 ' HD1' ' HD3' ' A' ' 40' ' ' PRO . 35.6 m-85 -65.7 131.94 47.55 Favored 'General case' 0 C--N 1.348 0.523 0 O-C-N 123.999 0.47 . . . . 0.0 110.72 -178.359 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.5 m -96.04 -50.03 5.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.827 -177.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -112.77 162.05 12.49 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.562 -178.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.7 m -143.38 82.39 1.74 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 177.577 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 23.4 m -93.71 158.65 15.57 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.469 -175.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -80.04 120.86 24.77 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.021 0.439 . . . . 0.0 109.843 174.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.509 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 42.0 t80 -107.49 154.28 21.6 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 176.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.49 ' HB2' HD22 ' A' ' 34' ' ' LEU . 75.9 m-85 -47.09 -46.25 22.58 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.738 0.304 . . . . 0.0 111.761 -176.786 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.571 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 2.4 mm? -93.23 -4.25 52.29 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -175.225 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.604 ' HA3' ' H ' ' A' ' 16' ' ' TYR . . . 165.92 -130.45 2.15 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 119.229 -1.462 . . . . 0.0 114.12 178.028 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.3 m -115.55 116.67 28.55 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 120.85 0.357 . . . . 0.0 110.521 -172.616 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.509 ' HB2' ' HB2' ' A' ' 32' ' ' TYR . 35.5 t -87.56 112.12 21.93 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 -176.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 60.0 m -102.92 110.89 22.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.015 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.523 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 29.3 p -118.82 112.07 36.99 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -172.674 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.554 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 20.7 Cg_endo -90.1 -95.14 0.0 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.284 0 C-N-CA 122.503 2.136 . . . . 0.0 110.748 161.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -154.6 40.91 0.46 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.33 0.586 . . . . 0.0 109.908 176.014 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.3 t70 . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.431 -0.795 . . . . 0.0 110.619 -173.298 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.799 0 N-CA-C 112.314 -0.314 . . . . 0.0 112.314 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.476 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 1.2 p -82.9 83.6 7.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.128 0.489 . . . . 0.0 110.741 176.517 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' A' ' 11' ' ' GLY . . . -83.35 140.86 32.18 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.576 -174.751 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.617 ' SG ' ' HB3' ' A' ' 13' ' ' TYR . 29.4 p -142.96 163.52 32.55 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.219 175.669 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m -126.89 131.4 51.16 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.38 0.61 . . . . 0.0 111.862 -176.192 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 72.3 m -116.17 86.23 2.45 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.09 174.506 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.74 -104.52 0.66 Allowed Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.301 -178.41 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -91.04 -26.55 19.13 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.85 0.357 . . . . 0.0 110.837 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.1 p -86.68 125.99 34.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.896 0.379 . . . . 0.0 110.827 -177.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.438 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 61.6 mttm -123.84 135.69 53.91 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 -177.563 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.475 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -168.83 -145.22 4.51 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 119.83 -1.176 . . . . 0.0 113.389 -177.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.1 mm -120.82 135.18 61.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 -173.213 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.617 ' HB3' ' SG ' ' A' ' 4' ' ' CYS . 11.8 p90 -103.6 140.82 37.04 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.241 0.543 . . . . 0.0 110.079 177.06 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.494 ' O ' ' HA3' ' A' ' 35' ' ' GLY . 33.8 m95 -110.31 139.61 45.32 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.402 -174.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -77.16 107.66 9.7 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.902 0.382 . . . . 0.0 111.217 -170.468 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 53.35 39.28 29.61 Favored 'General case' 0 C--O 1.247 0.954 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.364 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.418 ' HD3' ' HB3' ' A' ' 14' ' ' TRP . 36.7 mtp180 -121.78 91.68 48.68 Favored Pre-proline 0 C--N 1.344 0.342 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.051 178.103 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -84.34 56.92 5.06 Favored 'Trans proline' 0 C--O 1.251 1.166 0 C-N-CA 122.972 2.448 . . . . 0.0 112.134 -179.025 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.0 m -152.77 79.69 1.21 Allowed 'General case' 0 C--N 1.345 0.404 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.138 179.235 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 85.8 m -72.29 116.24 47.08 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.509 -178.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.563 ' HD2' ' CE2' ' A' ' 26' ' ' TYR . 53.4 Cg_exo -54.7 122.71 12.11 Favored 'Trans proline' 0 C--O 1.24 0.614 0 C-N-CA 123.478 2.785 . . . . 0.0 113.007 177.773 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.5 t -79.59 -18.56 51.37 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.252 -178.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -79.3 -18.74 52.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.122 0.487 . . . . 0.0 109.93 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -80.67 -8.97 59.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.227 175.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.493 ' O ' ' HB3' ' A' ' 40' ' ' PRO . . . 79.61 21.16 67.12 Favored Glycine 0 C--O 1.248 1.013 0 CA-C-N 115.579 -0.737 . . . . 0.0 112.763 178.62 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.563 ' CE2' ' HD2' ' A' ' 21' ' ' PRO . 19.7 m-85 -63.64 127.56 31.91 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 123.778 0.34 . . . . 0.0 110.624 -179.628 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.5 m -94.39 -43.93 8.15 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.008 0.432 . . . . 0.0 110.984 -174.082 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -118.18 168.52 13.13 Favored Glycine 0 N--CA 1.442 -0.907 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.303 179.541 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.1 m -144.04 78.19 1.58 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.188 0.518 . . . . 0.0 109.65 -178.319 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.529 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 3.7 m -81.14 148.46 29.58 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.971 -176.109 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.437 HH11 ' HD3' ' A' ' 31' ' ' ARG . 4.1 tpt180 -85.62 111.46 20.09 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.021 -0.671 . . . . 0.0 110.037 174.248 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -101.19 159.08 15.55 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.097 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.633 ' HB3' HD22 ' A' ' 34' ' ' LEU . 32.8 t80 -47.1 -45.06 21.87 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -174.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.633 HD22 ' HB3' ' A' ' 33' ' ' PHE . 2.8 mm? -101.45 1.98 38.84 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -174.117 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.494 ' HA3' ' O ' ' A' ' 14' ' ' TRP . . . 165.88 -143.86 8.75 Favored Glycine 0 C--O 1.224 -0.531 0 C-N-CA 119.05 -1.547 . . . . 0.0 113.756 179.201 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.423 ' O ' ' HA ' ' A' ' 13' ' ' TYR . 6.5 m -113.16 120.77 42.4 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.793 0.33 . . . . 0.0 110.958 -174.468 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.529 ' HB2' ' HB2' ' A' ' 30' ' ' CYS . 1.3 m -79.68 95.11 5.85 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.634 177.513 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.504 ' HB3' ' CG ' ' A' ' 26' ' ' TYR . 58.8 m -82.62 97.27 8.41 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 176.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.475 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 2.0 p -111.5 110.18 55.61 Favored Pre-proline 0 C--N 1.322 -0.628 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 -168.724 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.493 ' HB3' ' O ' ' A' ' 25' ' ' GLY . 59.0 Cg_endo -97.97 -97.85 0.0 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.299 0 C-N-CA 122.935 2.423 . . . . 0.0 111.271 166.283 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -169.59 38.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 176.082 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.2 t70 . . . . . 0 C--O 1.247 0.97 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.791 -168.642 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.893 0 N-CA-C 111.695 -0.562 . . . . 0.0 111.695 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.1 p -79.38 78.06 5.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.429 0.633 . . . . 0.0 110.117 176.37 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.479 ' HA ' ' O ' ' A' ' 11' ' ' GLY . . . -71.45 142.32 50.24 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.051 -0.977 . . . . 0.0 112.519 -172.044 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.644 ' SG ' ' HB3' ' A' ' 13' ' ' TYR . 28.3 p -149.33 157.84 43.67 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 173.59 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.0 t -129.51 141.41 51.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.343 0.592 . . . . 0.0 111.559 -176.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 77.3 m -116.81 90.54 3.36 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.458 175.095 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.44 -100.65 0.49 Allowed Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.264 -178.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -91.04 -32.75 15.78 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.889 0.376 . . . . 0.0 110.5 177.528 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.9 m -79.22 143.75 35.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.679 -173.232 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.518 ' HG2' ' HA ' ' A' ' 41' ' ' ALA . 13.3 ptmm? -136.9 140.26 42.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.697 -0.229 . . . . 0.0 110.481 -178.403 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.479 ' O ' ' HA ' ' A' ' 3' ' ' ALA . . . -169.7 -140.16 2.91 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.142 -1.028 . . . . 0.0 112.795 -178.409 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.5 mm -125.96 134.91 65.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 -173.099 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.644 ' HB3' ' SG ' ' A' ' 4' ' ' CYS . 3.7 p90 -96.76 133.4 41.38 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 121.436 0.636 . . . . 0.0 110.083 175.723 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.494 ' O ' ' HA3' ' A' ' 35' ' ' GLY . 13.5 m95 -101.79 143.0 32.26 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.51 -175.483 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -79.31 108.56 12.91 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 120.828 0.347 . . . . 0.0 111.522 -174.516 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 53.38 67.57 0.98 Allowed 'General case' 0 C--O 1.252 1.212 0 CA-C-N 115.078 -0.965 . . . . 0.0 112.699 175.098 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -109.98 118.46 49.75 Favored Pre-proline 0 C--N 1.343 0.292 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.235 174.394 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.14 -17.78 33.59 Favored 'Trans proline' 0 C--O 1.251 1.157 0 C-N-CA 123.197 2.598 . . . . 0.0 112.824 -175.212 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.2 t -160.49 142.13 12.42 Favored 'General case' 0 N--CA 1.449 -0.521 0 O-C-N 124.158 0.911 . . . . 0.0 109.039 178.084 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.1 t -80.42 116.43 61.74 Favored Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 178.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.437 ' HB2' ' OD2' ' A' ' 23' ' ' ASP . 43.2 Cg_endo -71.02 122.75 9.07 Favored 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.54 2.16 . . . . 0.0 111.387 -178.581 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.9 t -81.51 56.04 2.83 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.963 0.887 . . . . 0.0 111.58 -172.099 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.437 ' OD2' ' HB2' ' A' ' 21' ' ' PRO . 18.4 m-20 -85.57 -45.35 11.84 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.25 177.73 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.573 ' HB2' ' CZ ' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -101.16 29.93 4.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.476 . . . . 0.0 112.094 -175.09 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 48.56 33.61 12.47 Favored Glycine 0 C--O 1.25 1.156 0 CA-C-O 119.835 -0.425 . . . . 0.0 113.87 174.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.573 ' CZ ' ' HB2' ' A' ' 24' ' ' ARG . 45.7 m-85 -47.65 134.96 12.07 Favored 'General case' 0 C--N 1.345 0.372 0 O-C-N 124.518 0.775 . . . . 0.0 110.976 176.548 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.5 m -88.69 -50.63 6.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.757 -175.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -118.57 119.24 4.29 Favored Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.402 -178.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.8 m -99.25 90.91 4.73 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 175.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.435 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 56.2 m -94.73 150.23 20.42 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.001 -177.699 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.413 ' HD2' ' O ' ' A' ' 35' ' ' GLY . 1.1 tmm_? -84.34 99.16 10.44 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 120.203 -0.599 . . . . 0.0 109.637 176.089 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.73 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 33.1 t80 -80.26 161.43 25.14 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 177.526 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.645 ' HB2' HD22 ' A' ' 34' ' ' LEU . 45.5 m-85 -48.82 -38.68 22.9 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -171.469 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.645 HD22 ' HB2' ' A' ' 33' ' ' PHE . 2.6 mm? -113.97 10.33 17.56 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -175.189 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.494 ' HA3' ' O ' ' A' ' 14' ' ' TRP . . . 165.07 -146.26 11.06 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 118.563 -1.78 . . . . 0.0 114.552 178.166 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.3 m -104.07 108.13 19.35 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 120.968 0.413 . . . . 0.0 111.435 -170.452 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.73 ' HB2' ' HB2' ' A' ' 32' ' ' TYR . 51.5 t -79.86 94.31 5.8 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.777 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.513 ' HB3' ' CG ' ' A' ' 26' ' ' TYR . 72.5 m -91.57 103.06 15.71 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.104 -178.247 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.449 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 71.2 p -116.86 109.24 43.33 Favored Pre-proline 0 C--N 1.329 -0.313 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -171.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.487 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 16.9 Cg_endo -93.13 -77.49 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.139 0 C-N-CA 122.438 2.092 . . . . 0.0 111.587 165.26 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.518 ' HA ' ' HG2' ' A' ' 10' ' ' LYS . . . -177.89 33.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 -178.423 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.4 t70 . . . . . 0 C--O 1.247 0.957 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.424 -172.46 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.57 0 N-CA-C 111.952 -0.459 . . . . 0.0 111.952 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.553 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 5.0 p -80.23 72.5 7.06 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.429 0.633 . . . . 0.0 110.805 178.593 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.96 141.35 57.64 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.397 -177.166 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 18.6 t -145.53 150.18 35.96 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.718 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.7 m -129.58 138.69 51.43 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.45 0.643 . . . . 0.0 111.698 -177.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 82.6 m -119.25 75.05 1.02 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.844 -1.071 . . . . 0.0 108.569 172.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.62 -101.09 0.36 Allowed Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.246 -177.082 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -79.61 -37.45 36.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.914 0.388 . . . . 0.0 110.344 178.342 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.0 t -79.69 137.61 37.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.88 -172.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.473 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 59.8 mttp -137.26 141.08 42.0 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.511 -0.181 . . . . 0.0 110.511 -176.152 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.508 ' N ' HG22 ' A' ' 39' ' ' THR . . . -178.14 -139.89 3.62 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.627 -0.797 . . . . 0.0 113.089 -177.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.3 mm -127.1 136.1 61.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.699 0.285 . . . . 0.0 110.629 -171.548 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.553 ' CE1' ' HB ' ' A' ' 2' ' ' THR . 18.5 p90 -100.74 142.55 32.05 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.092 -0.643 . . . . 0.0 109.979 176.115 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.467 ' O ' ' HA3' ' A' ' 35' ' ' GLY . 74.8 m95 -108.78 138.13 45.61 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.935 -175.384 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -77.09 118.38 19.58 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.132 0.491 . . . . 0.0 111.74 -173.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 52.11 31.53 9.07 Favored 'General case' 0 C--O 1.25 1.121 0 CA-C-N 114.715 -1.13 . . . . 0.0 113.84 173.215 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 74.2 mtt180 -96.79 100.64 7.65 Favored Pre-proline 0 C--N 1.341 0.235 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 167.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -65.09 -10.46 25.72 Favored 'Trans proline' 0 C--O 1.25 1.08 0 C-N-CA 122.732 2.288 . . . . 0.0 112.437 -176.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.2 t -117.16 115.1 24.68 Favored 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 124.087 0.867 . . . . 0.0 109.631 179.045 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.529 ' HB2' HG21 ' A' ' 36' ' ' THR . 42.1 t -71.18 125.52 91.93 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-O 120.747 0.308 . . . . 0.0 110.571 179.599 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 20' ' ' CYS . 8.7 Cg_exo -71.84 67.5 3.12 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.863 2.375 . . . . 0.0 111.441 176.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.6 t -76.99 8.28 3.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.812 0.815 . . . . 0.0 110.702 -175.104 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -78.38 -17.51 56.36 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.116 -0.947 . . . . 0.0 109.175 173.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.4 mtp180 -94.33 30.26 2.0 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.259 -178.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.63 -9.79 64.06 Favored Glycine 0 C--O 1.25 1.132 0 C-N-CA 120.998 -0.62 . . . . 0.0 114.04 172.049 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.511 ' HD1' ' HD3' ' A' ' 40' ' ' PRO . 30.5 m-85 -57.28 130.77 47.7 Favored 'General case' 0 C--N 1.346 0.437 0 O-C-N 123.743 0.319 . . . . 0.0 110.291 178.706 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.662 HG22 ' HA ' ' A' ' 40' ' ' PRO . 15.2 t -101.88 -33.81 9.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.14 0.495 . . . . 0.0 110.696 -174.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -110.55 150.4 17.66 Favored Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 111.69 -0.564 . . . . 0.0 111.69 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.4 m -134.95 82.73 1.98 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.335 0.588 . . . . 0.0 110.338 -177.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 11.3 m -92.26 164.83 13.39 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 -100.35 127.79 46.57 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 119.602 -0.839 . . . . 0.0 110.356 172.02 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -96.06 154.58 17.16 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 172.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.603 ' HB3' HD22 ' A' ' 34' ' ' LEU . 38.6 t80 -52.16 -30.63 27.69 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 118.627 0.649 . . . . 0.0 111.927 -174.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.603 HD22 ' HB3' ' A' ' 33' ' ' PHE . 2.6 mm? -108.11 0.48 21.66 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 112.481 0.548 . . . . 0.0 112.481 -173.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.467 ' HA3' ' O ' ' A' ' 14' ' ' TRP . . . 172.56 -156.3 24.85 Favored Glycine 0 C--O 1.224 -0.52 0 C-N-CA 119.621 -1.276 . . . . 0.0 113.117 178.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.529 HG21 ' HB2' ' A' ' 20' ' ' CYS . 73.8 m -100.04 122.83 43.52 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.228 0.537 . . . . 0.0 110.836 -178.321 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 44.7 t -87.37 99.95 12.37 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.089 -178.635 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.452 ' HB3' ' CG ' ' A' ' 26' ' ' TYR . 72.7 m -96.95 110.28 22.84 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.041 -178.61 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.508 HG22 ' N ' ' A' ' 11' ' ' GLY . 21.6 p -121.14 120.87 28.96 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.371 -171.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.662 ' HA ' HG22 ' A' ' 27' ' ' THR . 54.0 Cg_endo -99.11 -94.55 0.0 OUTLIER 'Trans proline' 0 N--CA 1.443 -1.468 0 C-N-CA 122.894 2.396 . . . . 0.0 110.919 163.268 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -151.4 48.46 0.82 Allowed 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 173.187 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.486 ' HB3' ' HA2' ' A' ' 11' ' ' GLY . 17.0 t70 . . . . . 0 C--O 1.246 0.906 0 CA-C-O 118.443 -0.789 . . . . 0.0 110.178 -173.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.631 0 CA-C-O 120.205 -0.219 . . . . 0.0 112.746 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.593 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 6.6 p -79.93 93.84 5.76 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.565 0.698 . . . . 0.0 109.842 175.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.11 132.06 45.98 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 114.829 -1.078 . . . . 0.0 112.996 -167.488 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.4 ' SG ' ' HD2' ' A' ' 32' ' ' TYR . 43.4 t -138.64 153.75 48.62 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 114.823 -1.081 . . . . 0.0 108.959 171.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 m -142.88 134.83 27.0 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.03 0.443 . . . . 0.0 111.107 -178.126 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 61.7 m -129.43 81.94 2.05 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.364 177.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.64 -105.46 1.24 Allowed Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.555 178.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -87.97 -15.13 37.36 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.193 0.52 . . . . 0.0 110.345 -177.187 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.1 m -100.93 138.88 37.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.044 -177.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.505 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -124.48 147.04 48.61 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 178.14 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.506 ' HA2' ' O ' ' A' ' 42' ' ' ASP . . . -173.79 -150.63 7.69 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 119.44 -1.362 . . . . 0.0 114.169 -178.132 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 47.7 mm -123.82 138.41 53.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 114.921 -0.64 . . . . 0.0 110.292 -169.259 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.593 ' CE1' ' HB ' ' A' ' 2' ' ' THR . 12.2 p90 -104.89 140.54 37.99 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.444 177.286 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 26.7 m95 -102.24 139.76 37.42 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.827 -177.158 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.424 ' CE2' HG21 ' A' ' 2' ' ' THR . 93.0 m-85 -78.61 112.23 15.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.656 -172.104 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 51.7 p90 43.11 25.69 0.06 Allowed 'General case' 0 C--O 1.247 0.964 0 C-N-CA 124.879 1.272 . . . . 0.0 113.784 178.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 17' ' ' ARG . 27.0 mtp85 -100.53 116.11 64.65 Favored Pre-proline 0 N--CA 1.45 -0.462 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.075 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -83.49 34.51 0.54 Allowed 'Trans proline' 0 C--O 1.25 1.076 0 C-N-CA 123.352 2.701 . . . . 0.0 111.269 174.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.4 p -136.33 97.16 3.52 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.428 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.6 t -106.51 108.48 61.91 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.541 178.669 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_endo -80.63 146.43 16.9 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 122.583 2.188 . . . . 0.0 113.012 -175.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.8 t -79.31 53.52 1.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 122.393 1.092 . . . . 0.0 109.456 177.087 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -102.03 -44.47 5.46 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.047 -0.979 . . . . 0.0 111.511 -176.195 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 26' ' ' TYR . 22.8 mmm180 -95.8 28.47 3.06 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.469 -173.566 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 55.18 25.2 38.82 Favored Glycine 0 C--O 1.248 1.0 0 C-N-CA 121.104 -0.569 . . . . 0.0 113.128 177.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.472 ' CZ ' ' HB2' ' A' ' 24' ' ' ARG . 34.7 m-85 -48.47 127.76 13.69 Favored 'General case' 0 C--N 1.348 0.501 0 O-C-N 124.49 0.759 . . . . 0.0 111.129 177.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.477 HG22 ' HA ' ' A' ' 40' ' ' PRO . 14.9 t -108.73 -20.14 13.18 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.002 0.429 . . . . 0.0 110.551 -177.708 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -139.96 168.09 25.17 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.961 -0.638 . . . . 0.0 111.923 179.016 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.0 t -142.22 137.31 30.67 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.068 0.461 . . . . 0.0 110.046 179.041 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 60.6 m -136.92 177.44 7.85 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.74 -178.14 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.437 HH11 ' HD3' ' A' ' 31' ' ' ARG . 8.9 tpt180 -102.57 133.79 46.97 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 176.065 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.4 ' HD2' ' SG ' ' A' ' 4' ' ' CYS . 7.4 t80 -119.48 154.54 33.61 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 177.404 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.602 ' HB2' HD22 ' A' ' 34' ' ' LEU . 40.4 m-85 -45.04 -44.15 9.92 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -175.032 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.602 HD22 ' HB2' ' A' ' 33' ' ' PHE . 2.6 mm? -94.65 -10.38 32.02 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 -173.591 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.43 -133.97 3.06 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 119.176 -1.488 . . . . 0.0 113.714 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 17.7 m -95.48 136.54 35.73 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.616 0.246 . . . . 0.0 110.629 -171.584 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 18.1 t -106.44 129.25 54.45 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 120.832 0.349 . . . . 0.0 110.094 176.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 81.5 m -124.18 118.29 26.53 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.306 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.498 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 3.2 p -121.51 116.55 30.62 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 113.08 0.771 . . . . 0.0 113.08 -172.053 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.505 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 72.7 Cg_endo -98.79 -102.0 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 123.309 2.673 . . . . 0.0 110.852 162.682 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -135.58 5.46 3.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.237 0.541 . . . . 0.0 110.331 172.436 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.506 ' O ' ' HA2' ' A' ' 11' ' ' GLY . 11.3 m-20 . . . . . 0 C--O 1.243 0.721 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.248 -174.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.711 0 N-CA-C 111.506 -0.638 . . . . 0.0 111.506 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.1 p -79.71 52.22 1.41 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.33 0.586 . . . . 0.0 110.854 -177.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -89.26 143.96 26.45 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.653 -177.118 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.6 p -138.96 152.89 48.06 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.635 178.317 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m -118.5 135.62 54.28 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.998 0.428 . . . . 0.0 110.949 -177.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 95.4 m -129.68 79.95 1.93 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.037 177.563 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.53 -105.45 1.6 Allowed Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.477 177.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -93.79 -10.36 34.44 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.839 0.352 . . . . 0.0 110.728 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.9 m -105.79 125.05 50.53 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.568 -175.464 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.589 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 37.6 tttm -114.84 138.77 50.38 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 176.756 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.534 ' N ' HG22 ' A' ' 39' ' ' THR . . . -165.59 -147.56 5.2 Favored Glycine 0 N--CA 1.442 -0.903 0 C-N-CA 120.304 -0.95 . . . . 0.0 112.773 -179.237 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.6 mm -129.15 136.87 58.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 -171.532 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.633 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 9.7 p90 -91.82 135.34 33.99 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 120.041 -0.664 . . . . 0.0 109.235 175.338 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.726 ' HB3' ' HG3' ' A' ' 17' ' ' ARG . 38.7 m95 -110.77 142.74 42.33 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.395 -0.821 . . . . 0.0 109.866 -176.2 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -79.46 112.89 17.15 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.87 -178.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 57.85 61.52 2.37 Favored 'General case' 0 C--O 1.249 1.049 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.71 173.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.726 ' HG3' ' HB3' ' A' ' 14' ' ' TRP . 16.9 mmt180 -121.3 109.98 34.62 Favored Pre-proline 0 C--N 1.347 0.493 0 O-C-N 123.272 0.358 . . . . 0.0 110.426 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 17' ' ' ARG . 12.0 Cg_exo -71.18 -1.87 10.26 Favored 'Trans proline' 0 C--O 1.25 1.124 0 C-N-CA 123.177 2.585 . . . . 0.0 113.097 -176.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.2 m -154.32 141.1 19.09 Favored 'General case' 0 C--N 1.342 0.279 0 O-C-N 123.627 0.58 . . . . 0.0 110.301 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 98.9 m -89.8 127.17 55.15 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.302 178.013 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -47.11 109.88 0.25 Allowed 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 123.181 2.587 . . . . 0.0 112.426 177.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.7 t -79.23 -9.13 59.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.773 -174.174 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.6 p-10 -79.98 -25.1 40.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.807 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 24' ' ' ARG . 44.7 mtp85 -92.29 -1.89 56.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.199 0.523 . . . . 0.0 109.776 172.63 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.525 ' O ' ' HB3' ' A' ' 40' ' ' PRO . . . 73.18 27.14 68.89 Favored Glycine 0 C--O 1.247 0.938 0 CA-C-N 115.415 -0.811 . . . . 0.0 113.89 174.079 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.615 ' HD1' ' HD3' ' A' ' 40' ' ' PRO . 64.3 m-85 -56.94 120.55 8.15 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 177.565 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.9 m -96.06 -40.89 9.01 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.013 0.435 . . . . 0.0 111.22 -170.598 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -109.99 159.66 13.81 Favored Glycine 0 N--CA 1.443 -0.85 0 C-N-CA 121.036 -0.602 . . . . 0.0 112.245 -176.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.6 m -135.88 92.41 2.81 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.128 0.489 . . . . 0.0 109.896 178.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.48 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 36.4 m -92.33 138.06 31.84 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 178.488 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.79 96.65 6.35 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.372 0.606 . . . . 0.0 109.837 -178.74 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.588 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 33.9 t80 -84.4 150.53 25.27 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.167 -178.612 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.518 ' HB3' HD22 ' A' ' 34' ' ' LEU . 33.5 t80 -47.51 -43.06 24.37 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.774 0.321 . . . . 0.0 111.636 -174.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.518 HD22 ' HB3' ' A' ' 33' ' ' PHE . 2.4 mm? -95.56 -7.23 38.47 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 -174.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 167.3 -148.28 12.9 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 119.13 -1.51 . . . . 0.0 114.031 178.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.1 m -95.34 107.68 19.82 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.337 -0.431 . . . . 0.0 110.929 -173.09 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.633 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 27.5 t -79.89 95.98 6.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.192 0.52 . . . . 0.0 109.898 178.275 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.435 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 63.7 m -91.41 114.95 27.61 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.765 -178.181 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.534 HG22 ' N ' ' A' ' 11' ' ' GLY . 2.2 p -121.65 114.29 31.46 Favored Pre-proline 0 C--N 1.322 -0.592 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -172.32 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.615 ' HD3' ' HD1' ' A' ' 26' ' ' TYR . 74.2 Cg_endo -102.87 -100.84 0.0 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.28 0 C-N-CA 123.293 2.662 . . . . 0.0 111.423 164.439 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -147.35 38.78 0.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 175.07 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 33.0 t70 . . . . . 0 C--O 1.245 0.829 0 CA-C-N 114.356 -1.293 . . . . 0.0 110.056 -170.533 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.747 0 N-CA-C 111.781 -0.527 . . . . 0.0 111.781 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.498 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 24.8 p -81.9 59.87 4.5 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.505 0.669 . . . . 0.0 110.732 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.43 116.79 19.87 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.076 -0.966 . . . . 0.0 111.137 -177.219 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.436 ' SG ' ' HB3' ' A' ' 13' ' ' TYR . 6.1 p -117.52 167.73 11.03 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.933 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 p -138.49 127.4 23.84 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.277 0.561 . . . . 0.0 112.205 -177.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 72.4 m -106.77 90.88 3.45 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 172.547 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.97 -102.63 1.09 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.708 -0.758 . . . . 0.0 111.724 -177.154 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -107.68 -0.88 21.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.862 0.363 . . . . 0.0 110.48 178.538 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.9 m -93.24 122.91 36.11 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.195 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.437 ' HE3' ' HB2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -110.42 126.86 54.75 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.661 ' CA ' ' HD2' ' A' ' 40' ' ' PRO . . . -152.13 -155.81 7.21 Favored Glycine 0 N--CA 1.443 -0.862 0 C-N-CA 120.308 -0.948 . . . . 0.0 113.22 -176.804 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.7 mm -125.38 132.6 70.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -172.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.547 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 19.5 p90 -102.6 140.28 37.09 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 119.966 -0.694 . . . . 0.0 110.846 178.093 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.53 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 57.3 m95 -104.64 142.15 35.17 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.616 -177.484 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -78.62 124.74 28.49 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -170.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 45.1 p90 45.38 25.42 0.22 Allowed 'General case' 0 C--O 1.25 1.115 0 C-N-CA 125.321 1.448 . . . . 0.0 114.271 177.157 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.53 ' HD2' ' HB3' ' A' ' 14' ' ' TRP . 55.5 mtt180 -89.58 117.1 67.86 Favored Pre-proline 0 C--N 1.342 0.246 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 175.743 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -82.69 27.02 0.62 Allowed 'Trans proline' 0 C--O 1.25 1.124 0 C-N-CA 122.978 2.452 . . . . 0.0 112.754 -176.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.6 t -159.01 153.98 25.03 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 178.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.6 t -108.38 115.64 57.72 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-O 120.705 0.288 . . . . 0.0 110.228 -178.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -77.87 81.14 2.77 Favored 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 122.839 2.359 . . . . 0.0 110.836 178.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.0 t -97.28 86.01 3.81 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 122.321 1.057 . . . . 0.0 112.506 -173.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -116.26 0.83 12.99 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 164.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -95.61 -11.74 26.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.315 -1.311 . . . . 0.0 110.629 -176.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.95 52.74 1.88 Allowed Glycine 0 C--O 1.247 0.96 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.758 -177.244 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.626 ' CG ' ' HB3' ' A' ' 38' ' ' CYS . 30.6 m-85 -88.3 115.73 26.0 Favored 'General case' 0 C--N 1.343 0.292 0 O-C-N 123.822 0.366 . . . . 0.0 110.136 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.3 m -82.0 -46.0 14.57 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.111 0.481 . . . . 0.0 110.258 -176.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -112.39 160.69 13.02 Favored Glycine 0 N--CA 1.442 -0.902 0 C-N-CA 120.653 -0.785 . . . . 0.0 112.147 -179.432 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.0 m -144.61 81.53 1.66 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.47 0.652 . . . . 0.0 110.024 176.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.475 ' O ' ' HB3' ' A' ' 37' ' ' CYS . 2.0 m -97.07 142.6 28.81 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 -177.61 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -79.73 120.87 24.62 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 118.708 -1.197 . . . . 0.0 110.805 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.477 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 15.7 t80 -90.69 164.25 14.21 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.848 -1.069 . . . . 0.0 108.214 175.786 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -44.88 -38.79 4.86 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -174.589 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.41 HD22 ' N ' ' A' ' 34' ' ' LEU . 3.4 mm? -114.48 11.87 17.25 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.932 0.715 . . . . 0.0 112.932 -173.22 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.472 ' HA3' ' O ' ' A' ' 14' ' ' TRP . . . 164.25 -163.23 35.92 Favored Glycine 0 C--O 1.223 -0.555 0 C-N-CA 119.194 -1.479 . . . . 0.0 113.329 178.273 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 63.8 m -95.21 117.8 30.88 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.076 0.465 . . . . 0.0 110.808 -176.036 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.547 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 32.4 t -87.15 105.97 17.56 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.721 -178.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.626 ' HB3' ' CG ' ' A' ' 26' ' ' TYR . 80.2 m -90.48 111.41 22.67 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.112 177.478 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.542 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 0.5 OUTLIER -110.0 113.94 56.61 Favored Pre-proline 0 N--CA 1.447 -0.619 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 -171.779 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.661 ' HD2' ' CA ' ' A' ' 11' ' ' GLY . 90.0 Cg_endo -90.71 -150.86 0.04 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.282 0 C-N-CA 122.995 2.463 . . . . 0.0 109.297 159.071 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -130.41 70.39 1.45 Allowed 'General case' 0 C--N 1.313 -0.992 0 CA-C-O 120.769 0.318 . . . . 0.0 110.42 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 35.9 t70 . . . . . 0 C--O 1.247 0.959 0 CA-C-O 118.706 -0.664 . . . . 0.0 110.3 178.029 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.713 0 N-CA-C 111.917 -0.473 . . . . 0.0 111.917 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.499 ' HB ' ' CE2' ' A' ' 13' ' ' TYR . 30.3 p -84.41 60.37 5.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.457 0.646 . . . . 0.0 110.265 178.572 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -80.99 130.23 34.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.639 -174.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.409 ' SG ' ' HB3' ' A' ' 13' ' ' TYR . 14.1 p -129.21 154.36 46.85 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.578 176.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 p -137.12 126.22 24.48 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.42 0.629 . . . . 0.0 112.199 -177.255 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 58.8 m -111.47 96.63 6.22 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.113 -0.949 . . . . 0.0 108.878 174.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.66 -113.75 5.24 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.609 -177.17 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.3 p-10 -95.51 -10.8 28.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.005 0.431 . . . . 0.0 110.168 177.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.41 ' HA ' ' O ' ' A' ' 40' ' ' PRO . 19.3 m -88.87 110.07 20.75 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.884 -176.324 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.541 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 17.3 ptpt -122.1 129.41 52.34 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.984 0.421 . . . . 0.0 111.126 -177.028 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.427 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -157.48 -140.02 2.84 Favored Glycine 0 N--CA 1.441 -0.974 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.304 -177.242 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.2 mm -127.78 136.79 59.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 -173.116 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.605 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 7.0 p90 -96.52 132.05 42.51 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 119.771 -0.772 . . . . 0.0 109.459 173.388 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.723 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 46.5 m95 -107.24 145.48 32.62 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.274 -175.627 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -77.75 108.51 11.02 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.785 0.326 . . . . 0.0 111.123 -173.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 51.99 60.24 3.98 Favored 'General case' 0 C--O 1.246 0.918 0 CA-C-N 115.085 -0.961 . . . . 0.0 112.012 175.402 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.723 ' HD2' ' HB3' ' A' ' 14' ' ' TRP . 65.4 mtt85 -130.75 89.1 44.32 Favored Pre-proline 0 C--N 1.343 0.304 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.186 -178.42 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_exo -72.26 3.08 4.35 Favored 'Trans proline' 0 C--O 1.248 1.02 0 C-N-CA 123.071 2.514 . . . . 0.0 111.606 176.69 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.7 m -107.2 81.95 1.61 Allowed 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.279 173.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.459 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 49.6 t -78.66 117.04 64.22 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.445 -179.29 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 20' ' ' CYS . 19.8 Cg_exo -64.47 124.37 13.2 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 123.008 2.472 . . . . 0.0 112.762 -174.653 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.57 25.39 0.33 Allowed 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.678 0.752 . . . . 0.0 111.097 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.4 ' H ' ' C ' ' A' ' 21' ' ' PRO . 10.4 t70 -94.61 -26.15 16.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.91 -177.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.511 ' HB2' ' CE2' ' A' ' 26' ' ' TYR . 22.5 mmm180 -99.79 17.09 21.6 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.009 -0.541 . . . . 0.0 112.209 -170.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 56.08 23.87 41.09 Favored Glycine 0 C--O 1.251 1.175 0 C-N-CA 121.243 -0.503 . . . . 0.0 113.613 175.449 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.511 ' CE2' ' HB2' ' A' ' 24' ' ' ARG . 43.0 m-85 -47.99 127.17 11.83 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 124.273 0.631 . . . . 0.0 111.416 179.648 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.478 ' H ' ' HA ' ' A' ' 40' ' ' PRO . 27.2 m -88.83 -37.73 15.15 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.383 -177.322 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -139.92 174.79 22.22 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.057 178.452 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.2 t -141.74 111.41 6.59 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.344 0.592 . . . . 0.0 109.773 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 56.5 m -105.25 144.57 31.86 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.55 -178.11 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 31' ' ' ARG . 8.7 tpt180 -80.54 114.75 19.66 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.056 -0.657 . . . . 0.0 110.295 176.639 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -98.87 150.46 21.87 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 174.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -59.61 -15.06 16.21 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -173.402 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.414 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 2.7 mm? -111.69 -9.25 14.14 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.436 ' HA3' ' O ' ' A' ' 14' ' ' TRP . . . 166.11 -145.91 10.5 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 119.593 -1.289 . . . . 0.0 113.941 179.094 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.411 ' O ' ' HA ' ' A' ' 13' ' ' TYR . 2.8 m -100.13 109.75 22.03 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.742 0.306 . . . . 0.0 110.95 -172.376 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.605 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 19.9 t -84.1 90.81 7.53 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.267 0.556 . . . . 0.0 109.844 178.614 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.464 ' HB3' ' CG ' ' A' ' 26' ' ' TYR . 97.2 m -87.33 115.74 24.95 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.641 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.427 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 11.5 p -123.01 112.59 30.24 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 112.864 0.69 . . . . 0.0 112.864 -170.5 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.541 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 31.5 Cg_endo -94.75 -83.51 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 122.736 2.291 . . . . 0.0 111.874 165.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.502 ' HA ' ' HG2' ' A' ' 10' ' ' LYS . . . 169.34 35.71 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 124.268 1.027 . . . . 0.0 108.519 -176.759 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.7 t70 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.58 -0.724 . . . . 0.0 110.419 -169.516 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.612 0 N-CA-C 112.013 -0.435 . . . . 0.0 112.013 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.601 ' HB ' ' CE2' ' A' ' 13' ' ' TYR . 14.7 p -82.24 76.34 9.13 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.344 0.593 . . . . 0.0 110.91 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.93 141.64 58.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.614 -175.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 41.3 t -147.0 157.31 43.58 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.383 -179.517 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 p -142.09 136.21 29.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.83 0.348 . . . . 0.0 111.556 -174.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 92.3 m -137.16 96.68 3.33 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.313 176.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.2 -112.02 3.73 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.877 -0.678 . . . . 0.0 111.834 178.646 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.8 p-10 -94.69 -13.07 26.14 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.18 0.514 . . . . 0.0 109.862 176.036 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.9 m -84.88 134.36 34.28 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.612 -173.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.544 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 19.7 ptpt -127.27 130.62 49.91 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.686 178.424 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.453 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -164.86 -141.52 3.15 Favored Glycine 0 N--CA 1.443 -0.851 0 C-N-CA 119.652 -1.261 . . . . 0.0 113.299 -176.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.4 mm -129.73 139.16 52.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -172.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.679 ' HE1' ' HB2' ' A' ' 34' ' ' LEU . 13.1 p90 -99.0 135.04 40.97 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 119.904 -0.718 . . . . 0.0 109.678 175.561 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 11.6 m95 -100.38 148.93 24.17 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.091 -0.959 . . . . 0.0 108.822 -176.416 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -79.3 84.33 5.24 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.271 0.557 . . . . 0.0 111.388 -174.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.714 ' H ' ' HA3' ' A' ' 35' ' ' GLY . 58.2 m-85 56.83 81.32 0.14 Allowed 'General case' 0 C--O 1.248 1.012 0 CA-C-N 114.714 -1.13 . . . . 0.0 111.887 178.39 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.426 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 12.3 mtp180 -144.83 93.76 5.56 Favored Pre-proline 0 N--CA 1.451 -0.391 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.232 179.283 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 17' ' ' ARG . 20.1 Cg_endo -61.84 -12.82 27.36 Favored 'Trans proline' 0 C--O 1.251 1.169 0 C-N-CA 122.417 2.078 . . . . 0.0 111.461 174.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.6 m -99.96 65.99 1.33 Allowed 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 114.781 -1.099 . . . . 0.0 109.39 178.126 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.419 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 47.9 t -92.51 117.2 67.52 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.643 -179.346 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 20' ' ' CYS . 15.9 Cg_exo -64.79 105.12 0.61 Allowed 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 123.127 2.551 . . . . 0.0 112.112 -174.321 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.426 ' HA ' ' HD2' ' A' ' 26' ' ' TYR . 5.2 p -77.96 8.98 3.98 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -173.548 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -76.67 -4.78 44.96 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.33 -176.441 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -90.37 2.57 55.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.095 173.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.67 41.59 23.77 Favored Glycine 0 C--O 1.247 0.948 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.349 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.426 ' HD2' ' HA ' ' A' ' 22' ' ' THR . 31.2 m-85 -68.57 121.47 16.48 Favored 'General case' 0 C--N 1.346 0.442 0 O-C-N 124.039 0.494 . . . . 0.0 110.859 -177.593 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 85.0 m -93.13 -45.2 7.99 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.91 -177.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -112.31 137.61 14.38 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.392 -177.148 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.6 t -124.79 106.66 10.21 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 177.047 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 20.6 m -120.29 168.53 11.16 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.044 -178.169 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.5 ttt180 -96.75 132.82 42.06 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 119.707 -0.797 . . . . 0.0 109.456 169.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -106.27 160.49 15.32 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 171.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.538 ' HB3' HD22 ' A' ' 34' ' ' LEU . 48.1 t80 -51.11 -32.4 22.54 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 118.113 0.415 . . . . 0.0 111.768 -176.251 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.679 ' HB2' ' HE1' ' A' ' 13' ' ' TYR . 2.3 mm? -106.32 1.99 26.29 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -174.589 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.714 ' HA3' ' H ' ' A' ' 16' ' ' TYR . . . 162.02 -138.42 5.39 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 118.969 -1.586 . . . . 0.0 114.805 175.609 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 47.6 m -104.31 114.86 29.38 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 122.838 0.455 . . . . 0.0 110.893 -172.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 43.3 t -83.73 106.96 15.85 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.609 -178.288 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 74.7 m -103.97 109.68 21.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.092 0.472 . . . . 0.0 109.814 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.453 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 21.6 p -120.19 112.42 34.63 Favored Pre-proline 0 C--N 1.322 -0.604 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -173.225 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.544 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 36.7 Cg_endo -91.8 -87.4 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 122.395 2.063 . . . . 0.0 111.715 168.058 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -179.4 34.81 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 -176.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.1 t70 . . . . . 0 C--O 1.252 1.202 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.235 -173.931 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.753 0 N-CA-C 111.974 -0.451 . . . . 0.0 111.974 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.579 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 7.7 p -79.54 75.59 6.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.368 0.604 . . . . 0.0 110.636 179.337 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.425 ' HA ' ' O ' ' A' ' 11' ' ' GLY . . . -77.9 141.7 38.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.852 -173.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.514 ' SG ' ' HB3' ' A' ' 13' ' ' TYR . 26.8 p -140.57 166.19 25.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.498 177.147 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.3 m -130.07 140.12 50.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.005 0.431 . . . . 0.0 111.916 -176.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 86.6 m -123.07 79.48 1.67 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.59 173.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.5 -94.48 0.23 Allowed Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.685 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -95.4 -27.6 15.35 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.951 0.405 . . . . 0.0 110.536 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.9 m -84.28 141.04 31.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.387 -177.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.439 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 50.3 mtmt -136.49 134.08 37.23 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -179.424 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.642 ' HA3' ' HD2' ' A' ' 40' ' ' PRO . . . -167.86 -136.67 2.09 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.487 -0.864 . . . . 0.0 113.004 -178.197 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.8 mm -128.25 137.52 57.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 122.439 0.296 . . . . 0.0 110.331 -171.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.684 ' HE2' ' HB2' ' A' ' 34' ' ' LEU . 8.4 p90 -99.91 138.6 36.76 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.314 0.578 . . . . 0.0 110.055 176.418 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.441 ' O ' ' HA3' ' A' ' 35' ' ' GLY . 33.6 m95 -102.27 156.46 17.56 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.821 -178.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -90.31 111.82 23.16 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.811 -179.116 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.434 ' H ' ' HA3' ' A' ' 35' ' ' GLY . 66.8 m-85 49.35 80.27 0.07 Allowed 'General case' 0 C--O 1.253 1.248 0 O-C-N 124.208 0.942 . . . . 0.0 113.131 176.343 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -126.1 113.26 24.03 Favored Pre-proline 0 C--N 1.345 0.37 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.595 177.367 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -60.14 -12.57 20.01 Favored 'Trans proline' 0 C--O 1.251 1.137 0 C-N-CA 123.238 2.625 . . . . 0.0 112.861 -177.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.6 p -148.67 149.63 31.82 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.548 177.556 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.446 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 51.7 t -82.96 115.49 59.07 Favored Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 178.441 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 20' ' ' CYS . 20.8 Cg_exo -64.91 131.61 29.57 Favored 'Trans proline' 0 N--CA 1.464 -0.237 0 C-N-CA 122.784 2.323 . . . . 0.0 112.014 -177.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.9 m -79.29 55.72 1.94 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.301 0.572 . . . . 0.0 110.368 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -86.22 -67.48 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.782 -176.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.402 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 79.2 mtt180 -88.21 21.2 2.89 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.262 179.335 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 55.73 29.8 55.18 Favored Glycine 0 C--O 1.248 0.986 0 C-N-CA 120.414 -0.898 . . . . 0.0 111.9 -177.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.75 ' HD1' ' HD3' ' A' ' 40' ' ' PRO . 57.6 m-85 -38.33 138.9 0.42 Allowed 'General case' 0 C--N 1.348 0.54 0 O-C-N 125.024 1.073 . . . . 0.0 111.996 176.649 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.1 m -97.53 -49.29 4.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.967 -177.187 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.92 140.84 15.26 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 121.009 -0.615 . . . . 0.0 111.872 179.077 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.5 m -126.12 92.55 3.6 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.927 0.394 . . . . 0.0 110.48 178.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.0 m -106.04 163.44 12.76 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.4 ttt180 -96.03 134.54 38.94 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.516 -0.874 . . . . 0.0 109.748 171.086 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.582 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 13.2 t80 -107.51 164.1 12.5 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 173.684 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.474 ' HB2' HD22 ' A' ' 34' ' ' LEU . 97.6 m-85 -50.27 -35.79 28.67 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -175.594 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.684 ' HB2' ' HE2' ' A' ' 13' ' ' TYR . 2.4 mm? -100.47 -4.8 28.09 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -173.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.441 ' HA3' ' O ' ' A' ' 14' ' ' TRP . . . 163.96 -130.69 2.26 Favored Glycine 0 C--O 1.223 -0.584 0 C-N-CA 119.246 -1.454 . . . . 0.0 113.622 179.363 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.3 m -111.01 112.42 24.22 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.797 0.332 . . . . 0.0 111.32 -170.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.582 ' HB2' ' HB2' ' A' ' 32' ' ' TYR . 37.9 t -84.89 98.35 10.28 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.19 0.519 . . . . 0.0 109.891 -179.667 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.583 ' HB3' ' CG ' ' A' ' 26' ' ' TYR . 84.5 m -97.53 114.93 26.92 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.778 -178.69 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.469 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 20.5 p -120.3 116.07 32.5 Favored Pre-proline 0 C--N 1.319 -0.76 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -170.316 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.75 ' HD3' ' HD1' ' A' ' 26' ' ' TYR . 53.6 Cg_endo -84.25 -98.33 0.0 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.065 0 C-N-CA 121.845 1.697 . . . . 0.0 110.82 165.476 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -158.26 29.73 0.25 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.322 -0.236 . . . . 0.0 111.209 177.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.8 t70 . . . . . 0 C--O 1.246 0.889 0 CA-C-O 118.043 -0.979 . . . . 0.0 110.909 -175.48 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.779 0 N-CA-C 111.903 -0.479 . . . . 0.0 111.903 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.3 p -83.41 59.61 5.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.344 0.592 . . . . 0.0 110.922 -178.633 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.54 ' HA ' ' O ' ' A' ' 11' ' ' GLY . . . -84.19 129.72 34.88 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.575 -174.868 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 14.1 p -120.34 143.9 48.14 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.138 174.703 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.4 m -119.5 127.79 53.36 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.418 0.628 . . . . 0.0 111.665 -176.226 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.405 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 62.6 m -116.31 80.12 1.41 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.092 -0.958 . . . . 0.0 108.977 175.808 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.75 -101.07 0.67 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.727 -176.897 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -91.07 -25.09 19.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.148 0.499 . . . . 0.0 110.282 178.237 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.405 ' HB2' ' HB2' ' A' ' 6' ' ' CYS . 14.7 m -78.77 134.41 37.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.412 -174.471 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -132.73 125.62 30.61 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 -178.547 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.564 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -158.22 -149.0 5.34 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 119.56 -1.305 . . . . 0.0 113.53 -177.477 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.0 mm -122.24 130.68 74.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.769 -0.216 . . . . 0.0 110.49 -172.106 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.534 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 8.7 p90 -95.97 139.57 31.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.351 0.596 . . . . 0.0 109.876 177.403 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.494 ' O ' ' HA3' ' A' ' 35' ' ' GLY . 28.7 m95 -107.62 149.2 28.35 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.179 -0.918 . . . . 0.0 108.831 -179.061 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -78.74 92.56 4.81 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.265 0.555 . . . . 0.0 111.473 -174.979 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.732 ' H ' ' HA3' ' A' ' 35' ' ' GLY . 61.6 m-85 58.52 73.75 0.46 Allowed 'General case' 0 C--O 1.251 1.17 0 CA-C-N 114.85 -1.068 . . . . 0.0 111.918 175.87 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 17' ' ' ARG . 14.5 mmt180 -113.84 108.42 51.26 Favored Pre-proline 0 C--N 1.344 0.368 0 CA-C-N 114.803 -1.089 . . . . 0.0 110.434 178.268 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -64.17 -11.32 27.13 Favored 'Trans proline' 0 C--O 1.248 0.99 0 C-N-CA 122.87 2.38 . . . . 0.0 112.192 179.285 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.1 m -131.7 121.72 24.72 Favored 'General case' 0 N--CA 1.448 -0.55 0 O-C-N 124.167 0.917 . . . . 0.0 110.108 -177.699 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.438 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 53.4 t -101.21 123.03 46.32 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.82 178.683 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 20' ' ' CYS . 11.6 Cg_exo -69.69 84.72 0.63 Allowed 'Trans proline' 0 N--CA 1.464 -0.226 0 C-N-CA 122.784 2.323 . . . . 0.0 111.707 179.496 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.7 t -76.79 -14.13 59.95 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.423 0.63 . . . . 0.0 109.628 -174.481 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -77.68 -10.5 59.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.819 -1.082 . . . . 0.0 109.57 177.188 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.4 tpt180 -78.52 -10.6 59.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.835 177.794 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.412 ' O ' ' HB3' ' A' ' 40' ' ' PRO . . . 104.7 30.89 4.72 Favored Glycine 0 C--O 1.246 0.906 0 C-N-CA 120.845 -0.693 . . . . 0.0 113.006 177.186 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.526 ' CD2' ' HB3' ' A' ' 38' ' ' CYS . 31.7 m-85 -90.57 137.66 32.18 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-O 120.868 0.366 . . . . 0.0 110.095 -179.742 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.1 m -91.08 -28.1 18.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.736 -174.455 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -155.42 163.92 31.79 Favored Glycine 0 N--CA 1.442 -0.924 0 C-N-CA 120.965 -0.636 . . . . 0.0 111.944 177.907 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.8 t -129.05 125.61 37.64 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 176.75 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 31.6 m -116.87 156.57 27.1 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.555 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.429 ' HD3' ' C ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -86.96 128.6 35.07 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 176.565 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.569 ' HD2' ' H ' ' A' ' 34' ' ' LEU . 22.8 t80 -115.92 150.04 37.75 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.9 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -52.51 -39.1 60.93 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.922 0.391 . . . . 0.0 111.193 -177.36 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.569 ' H ' ' HD2' ' A' ' 32' ' ' TYR . 2.4 mm? -94.82 -0.53 54.05 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -176.538 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.732 ' HA3' ' H ' ' A' ' 16' ' ' TYR . . . 160.82 -136.74 4.61 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 119.381 -1.39 . . . . 0.0 114.564 174.406 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.4 m -112.76 118.58 35.37 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 120.715 0.293 . . . . 0.0 110.399 -173.761 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.534 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 23.3 t -86.23 104.67 15.99 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 120.976 0.417 . . . . 0.0 110.319 -178.842 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.526 ' HB3' ' CD2' ' A' ' 26' ' ' TYR . 84.3 m -97.58 109.16 21.97 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 177.006 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.564 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 0.8 OUTLIER -131.93 128.23 21.45 Favored Pre-proline 0 N--CA 1.446 -0.65 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -168.004 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.412 ' HB3' ' O ' ' A' ' 25' ' ' GLY . 27.1 Cg_endo -99.39 -85.84 0.0 OUTLIER 'Trans proline' 0 N--CA 1.443 -1.456 0 C-N-CA 123.57 2.846 . . . . 0.0 111.862 164.858 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -175.17 73.96 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.849 -1.068 . . . . 0.0 108.895 -174.753 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.4 t70 . . . . . 0 C--O 1.247 0.934 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.342 -178.211 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.6 0 N-CA-C 111.596 -0.601 . . . . 0.0 111.596 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.4 p -85.58 76.32 10.03 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.332 0.587 . . . . 0.0 110.698 -178.589 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.88 151.23 31.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.408 -175.596 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 49.4 t -149.73 148.75 29.61 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.797 178.72 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.4 m -125.92 123.83 39.47 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.49 0.662 . . . . 0.0 111.5 -179.317 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.438 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 71.5 m -112.8 73.53 0.82 Allowed 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 115.145 -0.934 . . . . 0.0 108.52 173.208 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.62 -112.57 5.11 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.574 -175.216 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -81.17 -23.04 38.48 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.014 0.435 . . . . 0.0 110.235 179.165 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.438 ' HB2' ' HB2' ' A' ' 6' ' ' CYS . 13.3 m -84.23 105.14 14.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.285 -178.583 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -116.76 136.6 52.83 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 122.262 -0.274 . . . . 0.0 110.618 -178.833 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.457 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -173.31 -137.88 2.5 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.654 -177.628 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.5 mm -122.01 133.39 68.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.677 0.275 . . . . 0.0 110.686 -171.609 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.637 ' HE2' ' HB2' ' A' ' 34' ' ' LEU . 7.7 p90 -97.45 137.28 36.66 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 120.059 -0.657 . . . . 0.0 109.873 177.098 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.436 ' O ' ' HA3' ' A' ' 35' ' ' GLY . 7.6 m95 -100.52 159.1 15.42 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 -179.585 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -82.2 -159.34 0.3 Allowed 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 177.353 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -60.02 87.69 0.01 OUTLIER 'General case' 0 C--O 1.25 1.088 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 -177.925 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 62.2 mtp85 -146.04 98.9 4.35 Favored Pre-proline 0 C--N 1.343 0.309 0 CA-C-N 114.33 -1.305 . . . . 0.0 108.202 174.216 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_endo -61.19 -14.12 32.05 Favored 'Trans proline' 0 C--O 1.25 1.096 0 C-N-CA 122.993 2.462 . . . . 0.0 113.692 -172.559 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.1 m -114.85 88.98 2.99 Favored 'General case' 0 N--CA 1.451 -0.419 0 O-C-N 123.57 0.544 . . . . 0.0 111.308 -178.021 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.433 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 40.4 t -86.96 135.62 35.05 Favored Pre-proline 0 C--N 1.325 -0.464 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 172.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 20' ' ' CYS . 7.0 Cg_exo -73.54 79.64 2.14 Favored 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.812 2.342 . . . . 0.0 111.104 178.543 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.705 ' HA ' ' HD2' ' A' ' 26' ' ' TYR . 3.2 p -78.61 14.78 1.18 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -172.261 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -100.35 21.85 12.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.422 0.629 . . . . 0.0 109.586 176.283 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 53.8 mtp85 -112.87 37.55 3.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.926 -178.231 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.42 ' C ' ' HB3' ' A' ' 40' ' ' PRO . . . 87.23 -16.46 48.25 Favored Glycine 0 C--O 1.249 1.081 0 C-N-CA 120.877 -0.677 . . . . 0.0 112.626 177.859 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.705 ' HD2' ' HA ' ' A' ' 22' ' ' THR . 23.9 m-85 -50.32 119.68 3.91 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 124.555 0.797 . . . . 0.0 111.07 -177.513 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.0 m -95.09 -31.36 13.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.594 -176.767 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -127.96 146.43 16.67 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.801 179.15 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.456 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 7.6 t -129.22 92.21 3.33 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 175.247 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.3 m -103.71 159.69 15.41 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.519 -173.595 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.461 ' HD2' ' O ' ' A' ' 35' ' ' GLY . 10.2 tpt180 -85.52 131.81 34.3 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 174.884 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.544 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 8.4 t80 -117.83 159.81 22.45 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 175.161 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.428 ' HB2' HD22 ' A' ' 34' ' ' LEU . 74.2 m-85 -53.9 -28.97 39.78 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 112.268 0.469 . . . . 0.0 112.268 -175.592 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.637 ' HB2' ' HE2' ' A' ' 13' ' ' TYR . 2.1 mm? -109.28 -3.68 17.01 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.2 0.445 . . . . 0.0 112.2 -176.024 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.461 ' O ' ' HD2' ' A' ' 31' ' ' ARG . . . 168.87 -131.37 2.28 Favored Glycine 0 C--O 1.227 -0.338 0 C-N-CA 119.411 -1.376 . . . . 0.0 113.632 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 87.8 m -127.86 123.49 35.21 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.051 0.453 . . . . 0.0 111.364 -174.532 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.591 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 99.7 m -79.38 108.77 13.15 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.974 179.53 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 55.9 m -96.62 97.95 9.8 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 173.959 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.457 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 38.7 p -121.14 112.75 33.02 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.78 -167.283 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.42 ' HB3' ' C ' ' A' ' 25' ' ' GLY . 33.1 Cg_endo -96.62 -86.71 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.111 0 C-N-CA 122.945 2.43 . . . . 0.0 111.83 169.034 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -169.56 32.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.729 -1.212 . . . . 0.0 107.729 175.872 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.4 t70 . . . . . 0 C--O 1.252 1.231 0 CA-C-N 114.72 -1.127 . . . . 0.0 109.578 -169.904 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.625 0 N-CA-C 111.776 -0.53 . . . . 0.0 111.776 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.4 p -82.87 68.81 9.51 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.138 0.494 . . . . 0.0 111.114 179.916 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.98 148.02 52.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.199 -179.194 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.543 ' HB2' ' HB3' ' A' ' 13' ' ' TYR . 49.4 t -141.36 154.59 45.74 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.212 -179.4 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.9 m -131.28 134.06 46.01 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.134 0.492 . . . . 0.0 111.058 -178.825 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.466 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 68.8 m -120.96 78.0 1.35 Allowed 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 173.276 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.95 -114.68 7.06 Favored Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 111.398 -0.681 . . . . 0.0 111.398 -173.584 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -81.04 -20.78 40.93 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.461 0.172 . . . . 0.0 110.984 178.724 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.466 ' HB2' ' HB2' ' A' ' 6' ' ' CYS . 19.8 m -78.69 122.43 25.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.953 0.406 . . . . 0.0 109.994 -179.139 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.543 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 46.0 mmtm -115.67 142.25 46.99 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -178.369 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.481 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -174.92 -148.0 6.47 Favored Glycine 0 N--CA 1.448 -0.567 0 C-N-CA 120.069 -1.062 . . . . 0.0 112.832 179.792 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.9 mm -127.92 141.7 45.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 -176.113 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.543 ' HB3' ' HB2' ' A' ' 4' ' ' CYS . 0.6 OUTLIER -105.28 128.97 53.71 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 121.655 0.74 . . . . 0.0 110.503 176.975 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.551 ' O ' ' HA3' ' A' ' 35' ' ' GLY . 32.4 m95 -101.62 150.01 23.53 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 114.48 -1.236 . . . . 0.0 108.871 -178.534 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.516 ' HA ' ' O ' ' A' ' 34' ' ' LEU . 89.0 m-85 -79.4 100.69 7.75 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.985 0.422 . . . . 0.0 111.242 -176.439 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.569 ' H ' ' HA3' ' A' ' 35' ' ' GLY . 83.5 m-85 53.66 80.94 0.1 Allowed 'General case' 0 C--O 1.249 1.07 0 CA-C-N 114.694 -1.139 . . . . 0.0 112.732 175.606 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 17' ' ' ARG . 9.7 mmt180 -115.01 112.06 44.76 Favored Pre-proline 0 N--CA 1.452 -0.337 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.536 175.478 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -57.75 -17.84 31.15 Favored 'Trans proline' 0 C--O 1.249 1.07 0 C-N-CA 123.144 2.563 . . . . 0.0 112.49 -176.57 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.1 p -152.79 138.28 17.68 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.762 177.909 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.9 t -92.22 122.13 65.35 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.113 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -70.16 125.07 11.53 Favored 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 122.554 2.17 . . . . 0.0 111.328 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.22 68.9 4.34 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.265 0.555 . . . . 0.0 111.397 -175.282 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -89.64 -56.89 3.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.482 177.657 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -89.91 23.51 2.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.934 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 53.32 28.63 35.78 Favored Glycine 0 C--O 1.245 0.805 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.566 -179.743 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.646 ' HD1' ' HD3' ' A' ' 40' ' ' PRO . 64.3 m-85 -32.55 128.09 0.25 Allowed 'General case' 0 C--N 1.352 0.702 0 O-C-N 125.153 1.149 . . . . 0.0 112.704 179.607 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.441 ' OG1' ' HA ' ' A' ' 40' ' ' PRO . 6.3 m -82.98 -42.7 17.27 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.241 -175.35 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -129.66 162.29 22.84 Favored Glycine 0 N--CA 1.443 -0.864 0 CA-C-N 115.617 -0.719 . . . . 0.0 112.183 179.016 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.9 m -135.07 81.35 1.89 Allowed 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 177.565 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.605 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 35.0 m -76.32 136.08 39.58 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.705 -174.568 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.439 ' HD2' ' O ' ' A' ' 35' ' ' GLY . 1.0 OUTLIER -79.31 97.25 6.22 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 176.883 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.552 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 4.5 t80 -79.57 163.1 24.92 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 176.87 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.565 ' HB3' HD22 ' A' ' 34' ' ' LEU . 29.1 t80 -51.7 -35.55 43.27 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.623 0.249 . . . . 0.0 111.489 -174.49 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.565 HD22 ' HB3' ' A' ' 33' ' ' PHE . 2.8 mm? -115.28 16.74 16.8 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -177.045 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.569 ' HA3' ' H ' ' A' ' 16' ' ' TYR . . . 158.84 -143.44 9.27 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 118.304 -1.903 . . . . 0.0 115.219 173.845 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.42 ' O ' ' HA ' ' A' ' 13' ' ' TYR . 5.0 m -115.26 112.65 22.76 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.35 -0.425 . . . . 0.0 111.407 -170.126 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.605 ' HB2' ' HB2' ' A' ' 30' ' ' CYS . 66.6 m -79.73 93.04 5.49 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.35 174.54 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.432 ' HB3' ' CD1' ' A' ' 26' ' ' TYR . 91.3 m -79.36 105.47 10.7 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 175.767 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.481 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 28.0 p -127.07 111.42 21.72 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -170.697 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.646 ' HD3' ' HD1' ' A' ' 26' ' ' TYR . 20.1 Cg_endo -93.52 -83.9 0.0 OUTLIER 'Trans proline' 0 N--CA 1.445 -1.367 0 C-N-CA 122.528 2.152 . . . . 0.0 110.223 161.318 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.414 ' HA ' ' H ' ' A' ' 10' ' ' LYS . . . -161.88 27.33 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.606 172.979 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.9 t70 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.384 -0.817 . . . . 0.0 110.618 -171.602 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.662 0 N-CA-C 111.786 -0.525 . . . . 0.0 111.786 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -83.04 71.96 10.11 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.354 0.597 . . . . 0.0 110.662 178.566 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.423 ' HA ' ' O ' ' A' ' 11' ' ' GLY . . . -74.16 133.52 42.77 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.588 -175.133 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 46.9 t -134.01 151.52 51.48 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.303 176.924 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.5 m -131.02 136.09 48.17 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.405 0.621 . . . . 0.0 111.478 -178.039 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.7 m -118.32 88.53 2.94 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.99 -1.005 . . . . 0.0 108.393 171.674 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.36 -109.31 2.79 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 -173.543 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 28.1 p-10 -103.21 -5.41 23.18 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.801 0.334 . . . . 0.0 110.192 176.965 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.7 t -82.9 127.33 33.4 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 178.409 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -133.31 144.2 49.52 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.157 -173.587 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.512 ' HA2' ' HB3' ' A' ' 42' ' ' ASP . . . -176.75 -134.92 2.06 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.366 -179.844 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 47.1 mm -126.75 134.99 64.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 -173.397 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.447 ' HE2' ' HB2' ' A' ' 34' ' ' LEU . 25.4 p90 -101.27 143.8 30.89 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.179 -0.608 . . . . 0.0 109.972 176.115 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.568 ' O ' ' HA3' ' A' ' 35' ' ' GLY . 30.4 m95 -109.04 137.52 46.82 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.088 -173.681 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.522 ' O ' ' HG2' ' A' ' 17' ' ' ARG . 99.2 m-85 -78.56 122.19 25.59 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.462 -174.495 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.452 ' O ' ' HD3' ' A' ' 18' ' ' PRO . 30.8 p90 48.27 20.73 0.3 Allowed 'General case' 0 C--O 1.25 1.086 0 C-N-CA 124.53 1.132 . . . . 0.0 113.19 -177.377 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.524 ' HB2' ' CB ' ' A' ' 14' ' ' TRP . 22.8 mmm180 -99.92 103.37 21.8 Favored Pre-proline 0 C--N 1.343 0.314 0 O-C-N 123.505 0.503 . . . . 0.0 110.084 179.902 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.452 ' HD3' ' O ' ' A' ' 16' ' ' TYR . 88.0 Cg_endo -89.99 39.48 0.4 Allowed 'Trans proline' 0 C--O 1.249 1.071 0 C-N-CA 123.068 2.512 . . . . 0.0 112.617 -177.35 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.8 t -155.04 119.72 4.8 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.769 -178.723 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 94.3 m -92.93 121.34 66.02 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.303 179.79 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.53 118.98 5.67 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 123.085 2.523 . . . . 0.0 112.237 178.029 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.9 m -78.34 2.55 18.21 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.361 0.6 . . . . 0.0 111.08 -176.416 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -79.73 -44.65 20.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.77 -177.962 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.4 ttp85 -97.86 39.29 1.23 Allowed 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 121.14 0.495 . . . . 0.0 110.82 -176.44 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.451 ' O ' ' HB3' ' A' ' 40' ' ' PRO . . . 46.68 36.46 8.22 Favored Glycine 0 C--O 1.249 1.072 0 CA-C-N 114.84 -1.073 . . . . 0.0 115.427 167.403 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.535 ' HD1' ' HD3' ' A' ' 40' ' ' PRO . 57.9 m-85 -61.88 119.44 8.81 Favored 'General case' 0 C--N 1.344 0.339 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 174.481 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.5 m -92.55 -39.26 11.46 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.3 -170.379 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -113.22 153.91 17.27 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.938 -0.648 . . . . 0.0 111.856 -179.065 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.9 t -140.21 105.19 4.98 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.171 0.51 . . . . 0.0 109.73 179.366 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 33.6 m -115.1 157.31 23.74 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.664 -178.518 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -92.11 124.7 36.39 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.366 0.603 . . . . 0.0 110.005 175.83 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.578 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 7.3 t80 -110.65 155.05 22.94 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 176.038 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -46.96 -41.22 15.8 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.773 0.32 . . . . 0.0 111.504 -177.825 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.447 ' HB2' ' HE2' ' A' ' 13' ' ' TYR . 2.5 mm? -89.48 -15.6 32.71 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -174.362 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.568 ' HA3' ' O ' ' A' ' 14' ' ' TRP . . . 170.84 -138.32 4.88 Favored Glycine 0 C--O 1.223 -0.584 0 C-N-CA 119.715 -1.231 . . . . 0.0 113.333 -178.747 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.1 m -117.7 123.81 46.98 Favored 'General case' 0 C--N 1.317 -0.817 0 O-C-N 122.422 -0.458 . . . . 0.0 111.144 -175.974 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.578 ' SG ' ' HB2' ' A' ' 32' ' ' TYR . 80.5 m -81.44 107.13 13.96 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.064 178.745 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 37.3 m -98.87 105.34 17.47 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 176.836 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.423 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 39.7 p -119.51 116.17 33.59 Favored Pre-proline 0 C--N 1.323 -0.585 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -169.804 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.535 ' HD3' ' HD1' ' A' ' 26' ' ' TYR . 33.0 Cg_endo -96.57 -90.1 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 122.581 2.187 . . . . 0.0 111.028 163.385 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -154.6 37.95 0.42 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 173.933 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.512 ' HB3' ' HA2' ' A' ' 11' ' ' GLY . 35.3 t70 . . . . . 0 C--O 1.253 1.238 0 CA-C-N 114.791 -1.095 . . . . 0.0 110.426 -172.375 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.476 0 N-CA-C 111.875 -0.49 . . . . 0.0 111.875 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 18.6 p -122.15 56.79 1.09 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.248 0.547 . . . . 0.0 110.517 178.878 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.39 135.8 44.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.177 -177.918 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 42.0 t -136.0 152.84 51.34 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.031 -179.066 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.0 m -129.24 134.15 47.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.025 0.441 . . . . 0.0 110.926 -178.302 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 87.7 m -123.99 90.5 3.28 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.143 178.213 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.27 -96.12 0.11 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 121.062 -0.589 . . . . 0.0 112.501 179.207 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -91.61 -36.41 13.68 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.08 0.467 . . . . 0.0 110.56 179.477 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.0 m -83.52 144.02 29.8 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.373 -172.345 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.567 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -133.48 135.8 44.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.223 178.046 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.464 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -166.42 -137.71 2.28 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.16 -1.019 . . . . 0.0 112.844 -178.175 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 51.1 mm -127.39 137.2 58.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 -173.214 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.523 ' HE2' ' HB2' ' A' ' 34' ' ' LEU . 10.0 p90 -99.71 138.04 37.35 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 119.966 -0.694 . . . . 0.0 110.038 177.098 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 34.2 m95 -107.71 144.6 34.6 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.637 -176.091 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -79.36 122.14 26.01 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.926 0.393 . . . . 0.0 111.769 -173.728 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 49.93 32.98 6.04 Favored 'General case' 0 C--O 1.248 1.002 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 170.138 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.468 ' HD3' ' O ' ' A' ' 19' ' ' SER . 7.0 ptp180 -108.6 111.8 61.0 Favored Pre-proline 0 N--CA 1.454 -0.274 0 C-N-CA 119.891 -0.723 . . . . 0.0 110.157 169.058 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -78.01 9.0 3.2 Favored 'Trans proline' 0 C--O 1.251 1.137 0 C-N-CA 122.703 2.269 . . . . 0.0 112.09 178.21 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.468 ' O ' ' HD3' ' A' ' 17' ' ' ARG . 43.3 t -123.11 111.34 16.42 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.506 177.92 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.1 t -85.77 128.83 56.96 Favored Pre-proline 0 C--N 1.32 -0.685 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.647 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.441 ' HD2' ' SG ' ' A' ' 38' ' ' CYS . 59.6 Cg_endo -71.88 -177.95 2.86 Favored 'Trans proline' 0 N--CA 1.463 -0.283 0 C-N-CA 122.622 2.215 . . . . 0.0 111.828 178.495 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.6 p -131.98 34.47 3.83 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.115 0.484 . . . . 0.0 110.664 -179.4 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -77.93 -28.38 49.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.705 -173.226 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -110.11 9.62 24.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.748 -0.206 . . . . 0.0 111.551 -179.143 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.96 55.3 30.5 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.29 -0.957 . . . . 0.0 110.977 -172.279 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.477 ' CD1' ' HB3' ' A' ' 38' ' ' CYS . 87.6 m-85 -63.16 142.79 58.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.041 0.448 . . . . 0.0 110.989 -174.568 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 59.6 m -100.24 -47.53 4.92 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.055 -176.049 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -122.21 137.94 11.75 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.363 -0.922 . . . . 0.0 113.081 -177.707 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.0 t -112.05 123.9 51.26 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 175.369 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.695 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 16.0 m -132.72 165.46 24.46 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.087 -172.747 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -103.62 119.77 39.57 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 174.346 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.626 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 0.7 OUTLIER -112.4 165.28 12.34 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 174.56 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.549 ' HB2' HD22 ' A' ' 34' ' ' LEU . 45.7 m-85 -50.21 -33.78 20.59 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -170.151 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.549 HD22 ' HB2' ' A' ' 33' ' ' PHE . 2.1 mm? -108.73 -3.31 17.92 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -173.227 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.65 -147.75 11.66 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 119.348 -1.406 . . . . 0.0 114.102 -179.259 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.6 m -110.65 123.85 50.78 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.889 0.376 . . . . 0.0 110.982 -173.218 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.695 ' HB2' ' HB2' ' A' ' 30' ' ' CYS . 64.4 m -84.31 111.07 19.08 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.454 -179.237 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.477 ' HB3' ' CD1' ' A' ' 26' ' ' TYR . 90.5 m -97.82 103.75 15.72 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 173.396 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.464 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 53.3 p -119.15 111.97 36.51 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -170.437 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.567 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 31.6 Cg_endo -94.27 -80.23 0.0 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 122.759 2.306 . . . . 0.0 112.288 167.876 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.406 ' HA ' ' HG2' ' A' ' 10' ' ' LYS . . . -176.64 35.48 0.0 OUTLIER 'General case' 0 C--N 1.334 -0.084 0 C-N-CA 122.985 0.514 . . . . 0.0 110.027 -176.9 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.446 ' OXT' ' HE3' ' A' ' 10' ' ' LYS . 23.1 t70 . . . . . 0 C--O 1.246 0.914 0 CA-C-O 118.386 -0.816 . . . . 0.0 110.079 -176.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.548 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 4.9 p . . . . . 0 C--O 1.236 0.367 0 CA-C-O 121.361 0.6 . . . . 0.0 110.514 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.74 138.69 55.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.158 -0.928 . . . . 0.0 112.213 -173.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 53.6 t -142.4 148.71 38.29 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.084 175.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.7 p -133.09 134.01 43.71 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 120.971 0.415 . . . . 0.0 110.773 -178.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 76.9 m -124.11 92.36 3.65 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 176.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.67 -87.94 0.36 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 121.146 -0.55 . . . . 0.0 111.808 -178.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -118.61 -17.17 9.35 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.177 0.513 . . . . 0.0 110.353 177.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.1 m -79.34 133.78 36.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.649 -178.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.493 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 95.8 mttt -121.72 131.19 53.94 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -177.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.544 ' CA ' ' HD2' ' A' ' 40' ' ' PRO . . . -162.53 -150.28 5.95 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 119.734 -1.222 . . . . 0.0 114.019 -177.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.3 mm -125.39 136.8 59.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.298 -0.451 . . . . 0.0 110.161 -171.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.548 ' CE1' ' HB ' ' A' ' 2' ' ' THR . 20.6 p90 -106.65 141.9 37.16 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.585 177.431 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.555 ' HB3' ' HB2' ' A' ' 17' ' ' ARG . 24.7 m95 -105.4 137.97 42.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.227 -175.247 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.453 ' CE2' HG21 ' A' ' 2' ' ' THR . 98.4 m-85 -79.18 106.61 11.34 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.337 -175.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.436 ' O ' ' HD3' ' A' ' 18' ' ' PRO . 86.1 m-85 58.68 16.64 4.5 Favored 'General case' 0 C--O 1.248 1.023 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 175.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.555 ' HB2' ' HB3' ' A' ' 14' ' ' TRP . 17.3 mmm180 -91.15 108.41 28.21 Favored Pre-proline 0 C--N 1.343 0.293 0 O-C-N 123.642 0.589 . . . . 0.0 110.26 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.436 ' HD3' ' O ' ' A' ' 16' ' ' TYR . 6.2 Cg_exo -79.17 4.86 6.2 Favored 'Trans proline' 0 C--O 1.247 0.949 0 C-N-CA 123.144 2.562 . . . . 0.0 111.357 178.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.5 m -113.21 91.82 3.78 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.17 -177.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.4 t -97.9 112.98 63.09 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.037 178.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -70.97 100.95 1.02 Allowed 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.909 2.406 . . . . 0.0 111.377 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.0 t -77.29 -4.02 42.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.206 0.527 . . . . 0.0 110.721 -171.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -77.61 -2.11 34.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.891 -177.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -93.08 19.78 7.53 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.017 0.437 . . . . 0.0 110.292 176.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.56 30.33 66.7 Favored Glycine 0 C--O 1.25 1.139 0 CA-C-N 115.789 -0.641 . . . . 0.0 113.112 176.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -71.05 130.3 41.18 Favored 'General case' 0 C--N 1.347 0.493 0 O-C-N 123.791 0.348 . . . . 0.0 110.491 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.4 m -95.97 -44.35 7.4 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.959 -175.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -126.95 168.23 19.17 Favored Glycine 0 N--CA 1.443 -0.893 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.41 -178.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.6 m -140.39 115.29 9.66 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 177.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 33.6 m -117.74 160.02 22.04 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.306 -176.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -90.0 109.38 20.42 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.139 0.495 . . . . 0.0 109.813 175.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.59 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 20.5 t80 -94.62 151.19 19.51 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 176.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.557 ' HB2' HD22 ' A' ' 34' ' ' LEU . 83.1 m-85 -44.31 -48.95 9.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 123.277 0.36 . . . . 0.0 111.865 -177.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.557 HD22 ' HB2' ' A' ' 33' ' ' PHE . 2.7 mm? -96.15 3.2 53.42 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -173.022 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.462 ' HA3' ' O ' ' A' ' 14' ' ' TRP . . . 161.44 -156.53 28.02 Favored Glycine 0 C--N 1.332 0.339 0 C-N-CA 118.873 -1.632 . . . . 0.0 114.535 177.326 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.2 m -87.24 118.02 26.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.38 -0.41 . . . . 0.0 111.027 -173.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.59 ' HB2' ' HB2' ' A' ' 32' ' ' TYR . 17.8 t -89.48 109.22 20.17 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.948 0.404 . . . . 0.0 110.779 -179.015 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 62.3 m -101.79 107.73 19.02 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.764 178.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.479 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 1.8 p -113.36 113.35 48.57 Favored Pre-proline 0 C--N 1.325 -0.476 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -172.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.544 ' HD2' ' CA ' ' A' ' 11' ' ' GLY . 74.0 Cg_endo -92.5 -105.44 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.179 0 C-N-CA 122.926 2.417 . . . . 0.0 110.869 163.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -160.24 56.83 0.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.981 0.42 . . . . 0.0 109.977 175.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 34.5 t70 . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.7 -176.447 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 16.7 p . . . . . 0 C--O 1.235 0.314 0 CA-C-O 121.435 0.636 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.18 144.84 54.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.331 -178.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 30.9 t -152.41 148.72 27.79 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.642 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 p -141.18 128.24 20.75 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.233 0.539 . . . . 0.0 112.43 -177.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 61.1 m -105.87 86.32 2.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.239 174.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.0 -104.94 0.88 Allowed Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.165 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -84.65 -29.76 25.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.751 0.31 . . . . 0.0 110.55 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.4 m -80.74 120.99 25.34 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 -176.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.529 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 95.1 mttt -123.37 134.25 54.02 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.391 -0.226 . . . . 0.0 110.391 -175.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.495 ' HA3' ' HD2' ' A' ' 40' ' ' PRO . . . -171.87 -137.62 2.37 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.412 -0.899 . . . . 0.0 113.121 -178.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 42.3 mm -128.93 139.57 51.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 C-N-CA 122.359 0.263 . . . . 0.0 110.383 -172.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.716 ' HE2' ' HB2' ' A' ' 34' ' ' LEU . 5.6 p90 -103.54 139.18 39.22 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 119.857 -0.737 . . . . 0.0 110.468 177.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 15.9 m95 -105.26 148.45 26.97 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.275 -177.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.461 ' HA ' ' O ' ' A' ' 34' ' ' LEU . 89.0 m-85 -79.54 95.99 6.0 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.873 0.368 . . . . 0.0 111.468 -175.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.859 ' H ' ' HA3' ' A' ' 35' ' ' GLY . 68.5 m-85 54.39 76.27 0.25 Allowed 'General case' 0 C--O 1.249 1.032 0 CA-C-N 114.804 -1.089 . . . . 0.0 111.838 176.089 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -116.23 114.84 40.72 Favored Pre-proline 0 N--CA 1.452 -0.35 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.568 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -76.2 10.63 2.03 Favored 'Trans proline' 0 C--O 1.252 1.201 0 C-N-CA 123.032 2.488 . . . . 0.0 112.219 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.8 m -154.38 110.43 3.23 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.807 177.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.0 t -86.5 122.19 72.0 Favored Pre-proline 0 C--N 1.319 -0.736 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 176.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.645 ' HB2' ' HD3' ' A' ' 24' ' ' ARG . 37.1 Cg_endo -68.67 74.19 0.88 Allowed 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.843 2.362 . . . . 0.0 112.033 178.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.477 ' HA ' ' HB2' ' A' ' 26' ' ' TYR . 8.8 t -77.4 3.51 13.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.487 -171.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -79.72 -5.11 54.58 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.318 0.58 . . . . 0.0 109.666 175.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.645 ' HD3' ' HB2' ' A' ' 21' ' ' PRO . 26.6 mtp180 -107.46 38.9 2.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.151 -175.255 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.433 ' O ' ' HB3' ' A' ' 40' ' ' PRO . . . 89.29 -18.15 47.25 Favored Glycine 0 C--O 1.249 1.045 0 C-N-CA 120.834 -0.698 . . . . 0.0 113.667 172.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.608 ' HE2' ' HG2' ' A' ' 21' ' ' PRO . 26.3 m-85 -55.84 135.08 52.15 Favored 'General case' 0 C--N 1.347 0.478 0 O-C-N 123.755 0.327 . . . . 0.0 110.886 -178.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 13.2 t -116.8 -19.66 9.8 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.07 0.462 . . . . 0.0 110.191 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -131.88 154.97 21.2 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 121.113 -0.565 . . . . 0.0 111.993 178.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.6 m -141.21 87.61 2.1 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.161 0.505 . . . . 0.0 109.772 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 12.1 m -92.43 151.43 20.23 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.645 -176.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.442 HH11 ' HD3' ' A' ' 31' ' ' ARG . 7.2 tpt180 -79.64 110.99 15.49 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.297 0.57 . . . . 0.0 109.57 173.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.551 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 43.4 t80 -99.7 158.31 15.86 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 177.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.558 ' HB2' HD22 ' A' ' 34' ' ' LEU . 92.5 m-85 -45.85 -49.49 15.29 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.83 0.348 . . . . 0.0 111.796 -178.117 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.716 ' HB2' ' HE2' ' A' ' 13' ' ' TYR . 2.6 mm? -98.17 9.42 42.97 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -174.33 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.859 ' HA3' ' H ' ' A' ' 16' ' ' TYR . . . 153.24 -135.06 4.68 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 119.073 -1.537 . . . . 0.0 114.529 172.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.8 m -106.11 110.69 23.02 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.899 0.38 . . . . 0.0 110.926 -171.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.551 ' HB2' ' HB2' ' A' ' 32' ' ' TYR . 39.7 t -83.5 98.17 9.4 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.1 0.476 . . . . 0.0 110.075 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 97.2 m -91.92 108.66 20.09 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.831 -179.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.447 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 9.2 p -117.46 116.77 36.83 Favored Pre-proline 0 C--N 1.317 -0.808 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -172.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.529 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 38.2 Cg_endo -90.85 -98.44 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.115 0 C-N-CA 122.695 2.263 . . . . 0.0 111.126 164.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -153.96 21.96 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.187 0.517 . . . . 0.0 110.187 174.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.7 t70 . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.308 -0.853 . . . . 0.0 110.28 -173.155 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.8 p . . . . . 0 C--O 1.233 0.187 0 CA-C-O 121.312 0.577 . . . . 0.0 110.497 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.416 ' HA ' ' O ' ' A' ' 11' ' ' GLY . . . -77.98 137.39 38.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.979 -173.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.575 ' SG ' ' HB3' ' A' ' 13' ' ' TYR . 26.7 p -141.48 158.15 44.22 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.114 176.111 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 p -142.8 133.53 25.31 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.035 0.445 . . . . 0.0 111.136 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 19.2 p -134.17 132.49 39.87 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 178.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.59 -102.38 0.74 Allowed Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.814 -0.707 . . . . 0.0 111.461 -175.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -129.68 9.71 5.5 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.604 0.24 . . . . 0.0 110.973 178.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.6 p -109.71 138.26 46.34 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.106 0.479 . . . . 0.0 111.438 -178.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.531 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 49.6 mtpt -116.9 136.9 52.59 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.232 -178.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.507 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -169.87 -142.6 3.62 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.101 -1.047 . . . . 0.0 113.395 179.055 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.402 HD13 ' HA ' ' A' ' 3' ' ' ALA . 47.1 mm -126.07 132.08 70.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 -172.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.582 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 9.0 p90 -94.87 139.78 30.83 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.087 -0.645 . . . . 0.0 109.956 177.01 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.463 ' O ' ' HA3' ' A' ' 35' ' ' GLY . 41.7 m95 -106.22 150.32 26.0 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.422 -178.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.417 ' HA ' ' O ' ' A' ' 34' ' ' LEU . 91.2 m-85 -80.14 96.11 6.44 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.811 0.339 . . . . 0.0 111.42 -175.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.802 ' H ' ' HA3' ' A' ' 35' ' ' GLY . 82.5 m-85 51.6 78.63 0.11 Allowed 'General case' 0 C--O 1.251 1.16 0 CA-C-N 114.922 -1.036 . . . . 0.0 112.391 176.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.433 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 17.9 mmt180 -116.47 121.74 32.87 Favored Pre-proline 0 C--N 1.344 0.355 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.816 179.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 17' ' ' ARG . 26.9 Cg_exo -62.64 -12.38 28.14 Favored 'Trans proline' 0 C--O 1.25 1.117 0 C-N-CA 123.222 2.615 . . . . 0.0 113.102 -175.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.1 m -147.79 144.68 28.38 Favored 'General case' 0 N--CA 1.452 -0.345 0 O-C-N 123.752 0.658 . . . . 0.0 109.829 179.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.4 t -99.87 121.23 54.93 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.188 176.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.439 ' O ' ' HD2' ' A' ' 26' ' ' TYR . 46.7 Cg_endo -70.27 87.68 0.61 Allowed 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 122.362 2.041 . . . . 0.0 111.699 177.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.4 p -77.11 -8.83 58.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.375 0.607 . . . . 0.0 110.479 -176.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -79.14 -11.73 59.98 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.875 177.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.57 33.57 1.42 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.568 178.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.592 ' O ' ' HB3' ' A' ' 40' ' ' PRO . . . 90.18 -30.22 6.06 Favored Glycine 0 C--O 1.247 0.925 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.903 175.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.622 ' HD1' ' HD3' ' A' ' 40' ' ' PRO . 37.7 m-85 -58.75 129.42 42.02 Favored 'General case' 0 C--N 1.346 0.43 0 O-C-N 124.178 0.575 . . . . 0.0 110.741 -177.084 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.4 m -104.59 -40.27 6.08 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.079 0.466 . . . . 0.0 110.766 -175.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -110.94 149.08 17.81 Favored Glycine 0 N--CA 1.441 -0.988 0 C-N-CA 120.954 -0.641 . . . . 0.0 111.663 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.9 p -128.09 90.87 3.16 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.198 0.523 . . . . 0.0 110.207 179.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 59.7 m -96.37 145.11 25.9 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.33 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.47 ' C ' ' HD3' ' A' ' 31' ' ' ARG . 0.1 OUTLIER -82.83 123.94 29.84 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.344 -0.542 . . . . 0.0 109.56 -179.74 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.449 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 31.8 t80 -108.67 154.46 21.97 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 179.269 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -48.93 -39.34 25.81 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.945 0.402 . . . . 0.0 111.773 -177.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.567 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 2.6 mm? -94.96 -2.2 50.95 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -175.44 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.802 ' HA3' ' H ' ' A' ' 16' ' ' TYR . . . 158.38 -128.01 1.99 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 119.635 -1.269 . . . . 0.0 114.051 174.138 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.5 m -114.3 111.6 21.76 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 120.892 0.377 . . . . 0.0 110.842 -173.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.582 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 43.0 t -83.46 99.13 9.9 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.002 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.516 ' HB3' ' CG ' ' A' ' 26' ' ' TYR . 94.1 m -92.47 115.39 28.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.148 -179.267 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.507 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 21.5 p -122.77 114.97 29.62 Favored Pre-proline 0 C--N 1.322 -0.588 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 -170.141 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.622 ' HD3' ' HD1' ' A' ' 26' ' ' TYR . 29.1 Cg_endo -97.49 -93.34 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.127 0 C-N-CA 123.054 2.503 . . . . 0.0 111.257 161.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -157.62 57.1 0.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.596 175.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 33.9 t70 . . . . . 0 C--O 1.246 0.891 0 CA-C-O 118.507 -0.759 . . . . 0.0 110.922 -176.577 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.511 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 16.9 p . . . . . 0 C--O 1.234 0.266 0 CA-C-O 121.557 0.694 . . . . 0.0 110.387 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.33 137.43 56.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.878 -175.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 43.4 t -141.72 154.56 45.37 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.236 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.6 m -146.34 140.87 26.71 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.443 0.639 . . . . 0.0 111.792 -177.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 59.7 m -130.75 94.86 3.71 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.814 -1.084 . . . . 0.0 108.507 174.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.16 -118.88 7.64 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.654 -0.784 . . . . 0.0 111.68 -176.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -88.84 -14.06 37.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.066 0.46 . . . . 0.0 109.884 175.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.5 m -79.31 118.04 20.86 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.766 -177.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.616 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 36.2 mtmm -122.56 134.21 54.54 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.848 -176.318 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.439 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -166.57 -146.34 4.81 Favored Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 120.191 -1.004 . . . . 0.0 113.002 -177.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 47.1 mm -127.31 138.8 53.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -173.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.548 ' HE2' ' HB2' ' A' ' 34' ' ' LEU . 5.4 p90 -101.68 137.0 40.57 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.39 177.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 22.9 m95 -102.44 144.64 30.64 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.583 -177.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -79.43 102.18 8.59 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.784 -0.189 . . . . 0.0 111.071 -177.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 55.89 61.28 2.85 Favored 'General case' 0 C--O 1.253 1.253 0 O-C-N 123.806 0.692 . . . . 0.0 111.815 176.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.1 mtp180 -141.46 72.91 25.45 Favored Pre-proline 0 C--N 1.343 0.324 0 O-C-N 123.91 0.756 . . . . 0.0 110.761 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -58.77 -19.79 48.23 Favored 'Trans proline' 0 C--O 1.25 1.097 0 C-N-CA 122.685 2.257 . . . . 0.0 111.674 -178.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.9 m -90.69 69.9 6.65 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.024 177.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.3 t -71.93 123.32 89.28 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.651 -176.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -78.94 102.29 1.52 Allowed 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 122.609 2.206 . . . . 0.0 111.339 178.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.57 ' HA ' ' HD2' ' A' ' 26' ' ' TYR . 6.0 t -79.2 65.29 4.33 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 122.318 1.056 . . . . 0.0 111.205 -175.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -79.6 -29.11 41.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.305 176.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.7 mtm180 -106.85 20.49 18.96 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.994 -177.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.445 ' O ' ' HB3' ' A' ' 40' ' ' PRO . . . 66.84 52.83 30.84 Favored Glycine 0 C--O 1.248 1.027 0 CA-C-N 116.07 -0.514 . . . . 0.0 113.452 175.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.57 ' HD2' ' HA ' ' A' ' 22' ' ' THR . 61.2 m-85 -66.03 121.2 14.59 Favored 'General case' 0 C--N 1.346 0.454 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.0 m -88.68 -45.74 9.58 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.211 -171.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -120.84 159.37 15.49 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.515 -175.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.7 t -128.92 122.83 31.1 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 177.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.446 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 56.1 m -124.65 151.26 45.13 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 178.207 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.13 102.17 14.89 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.132 -0.627 . . . . 0.0 109.369 177.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.636 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 34.9 t80 -84.38 157.53 21.41 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.465 -0.788 . . . . 0.0 109.298 -178.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.624 ' HB3' HD22 ' A' ' 34' ' ' LEU . 25.4 t80 -44.68 -46.79 10.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 123.471 0.482 . . . . 0.0 112.086 -176.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.624 HD22 ' HB3' ' A' ' 33' ' ' PHE . 2.9 mm? -102.47 6.09 39.89 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -174.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 161.21 -144.78 10.17 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 118.713 -1.708 . . . . 0.0 114.441 177.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.2 m -98.12 115.75 28.92 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 122.513 0.325 . . . . 0.0 111.128 -172.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.636 ' HB2' ' HB2' ' A' ' 32' ' ' TYR . 37.8 t -87.28 108.22 18.85 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.9 0.381 . . . . 0.0 110.757 -179.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 60.2 m -100.27 111.4 23.68 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.057 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.439 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 16.5 p -119.89 113.6 34.35 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -173.227 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.616 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 24.6 Cg_endo -95.39 -90.63 0.0 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.305 0 C-N-CA 122.918 2.412 . . . . 0.0 111.042 163.441 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -168.25 50.9 0.05 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.226 179.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.423 ' OD1' ' HA2' ' A' ' 11' ' ' GLY . 5.6 p-10 . . . . . 0 C--O 1.251 1.153 0 CA-C-O 118.186 -0.912 . . . . 0.0 110.758 -177.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.7 p . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 121.368 0.604 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -80.84 150.88 28.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.621 -176.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 14.6 p -145.14 161.72 38.8 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.462 176.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 p -133.62 134.48 43.29 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.379 0.609 . . . . 0.0 111.797 -175.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 70.7 m -127.17 89.86 3.04 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.664 176.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.87 -108.09 2.36 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 121.006 -0.616 . . . . 0.0 111.96 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -102.4 -5.72 23.81 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.971 0.415 . . . . 0.0 110.666 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.0 m -101.05 126.19 47.71 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.142 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.507 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -126.74 143.09 51.35 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 -178.094 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.478 ' N ' HG22 ' A' ' 39' ' ' THR . . . -170.38 -143.63 4.02 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.372 -0.918 . . . . 0.0 112.745 -178.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 44.7 mm -124.82 140.68 47.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -173.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.547 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 2.0 p90 -97.05 131.74 43.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.482 0.658 . . . . 0.0 109.98 177.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 20.9 m95 -97.15 154.95 17.05 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 114.81 -1.086 . . . . 0.0 109.169 -179.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -85.71 83.38 7.88 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.791 0.329 . . . . 0.0 110.322 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.497 ' H ' ' HA3' ' A' ' 35' ' ' GLY . 81.5 m-85 67.45 86.88 0.13 Allowed 'General case' 0 C--O 1.249 1.065 0 CA-C-N 114.942 -1.026 . . . . 0.0 111.975 177.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -131.5 87.73 45.62 Favored Pre-proline 0 C--N 1.346 0.444 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.018 177.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -64.03 -7.65 14.04 Favored 'Trans proline' 0 C--O 1.248 1.001 0 C-N-CA 123.123 2.549 . . . . 0.0 112.317 179.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.0 m -136.65 66.55 1.48 Allowed 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.45 175.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.436 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 34.7 t -64.75 125.08 88.13 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.164 -179.079 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 20' ' ' CYS . 8.2 Cg_exo -69.33 108.38 1.98 Allowed 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 123.224 2.616 . . . . 0.0 111.879 -177.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 37.1 p -79.03 29.18 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -171.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -77.21 -22.33 52.48 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.651 0.262 . . . . 0.0 111.372 -172.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -79.71 -0.89 36.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.506 0.669 . . . . 0.0 109.742 172.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.59 45.55 7.83 Favored Glycine 0 C--O 1.246 0.85 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -176.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -62.83 129.29 39.78 Favored 'General case' 0 C--N 1.347 0.483 0 O-C-N 124.244 0.614 . . . . 0.0 111.029 -175.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.4 m -96.36 -48.21 5.68 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.677 -177.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -120.73 153.12 16.71 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.705 -178.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.7 p -129.03 82.01 2.06 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.474 0.654 . . . . 0.0 109.902 177.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.487 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 47.7 m -84.77 159.48 20.45 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.227 -176.432 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 31' ' ' ARG . 8.3 tpt180 -90.47 117.83 29.47 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.007 0.432 . . . . 0.0 110.129 177.321 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -102.62 156.87 17.33 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 177.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.614 ' HB2' HD22 ' A' ' 34' ' ' LEU . 62.0 m-85 -49.24 -38.75 27.73 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -174.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.614 HD22 ' HB2' ' A' ' 33' ' ' PHE . 2.2 mm? -108.27 7.03 27.11 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.376 0.509 . . . . 0.0 112.376 -174.361 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.497 ' HA3' ' H ' ' A' ' 16' ' ' TYR . . . 163.2 -140.01 6.24 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 118.899 -1.619 . . . . 0.0 114.324 177.096 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.7 m -110.62 113.46 26.1 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.822 0.344 . . . . 0.0 111.195 -170.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.547 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 25.3 t -80.53 99.44 8.06 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.417 179.418 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 64.6 m -93.02 107.68 19.42 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.996 -178.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.478 HG22 ' N ' ' A' ' 11' ' ' GLY . 6.1 p -116.0 107.19 48.37 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 115.756 -0.657 . . . . 0.0 112.7 -171.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.507 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 74.1 Cg_endo -92.89 -94.68 0.0 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.076 0 C-N-CA 122.631 2.221 . . . . 0.0 111.425 166.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -151.06 17.19 0.76 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.456 0.646 . . . . 0.0 109.488 176.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.253 1.252 0 CA-C-O 118.202 -0.904 . . . . 0.0 109.825 -172.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.571 ' HB ' ' CE2' ' A' ' 13' ' ' TYR . 18.5 p . . . . . 0 N--CA 1.452 -0.36 0 CA-C-O 121.26 0.553 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.03 140.2 57.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.514 -176.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 54.1 t -146.01 154.32 41.75 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.461 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.3 t -139.12 141.47 38.09 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.5 0.667 . . . . 0.0 111.399 -178.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 83.1 m -122.65 81.01 1.8 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.908 -1.042 . . . . 0.0 108.812 174.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.56 -95.44 0.53 Allowed Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.1 -179.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -108.92 -10.97 15.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.728 0.299 . . . . 0.0 110.866 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.2 m -90.02 109.02 20.09 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 177.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.498 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 27.9 mtmm -108.11 143.39 36.93 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.591 -178.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.43 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -170.87 -141.23 3.25 Favored Glycine 0 N--CA 1.441 -0.981 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.436 -179.458 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.6 mm -129.04 137.16 57.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -174.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.571 ' CE2' ' HB ' ' A' ' 2' ' ' THR . 3.1 p90 -95.38 131.06 41.9 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 119.881 -0.728 . . . . 0.0 109.448 175.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.42 ' O ' ' HA3' ' A' ' 35' ' ' GLY . 40.8 m95 -98.88 144.57 27.93 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.971 -176.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -78.32 101.49 7.22 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.835 0.35 . . . . 0.0 110.271 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.418 ' H ' ' HA3' ' A' ' 35' ' ' GLY . 80.6 m-85 62.36 77.96 0.31 Allowed 'General case' 0 C--O 1.251 1.153 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.691 177.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 86.2 mmt-85 -135.47 71.86 65.45 Favored Pre-proline 0 C--N 1.346 0.443 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.644 176.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.28 -21.43 22.85 Favored 'Trans proline' 0 C--O 1.25 1.091 0 C-N-CA 122.922 2.414 . . . . 0.0 112.404 -177.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.3 t -127.68 87.9 2.7 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 175.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.2 t -66.83 129.68 94.04 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.56 -171.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -75.0 98.12 1.14 Allowed 'Trans proline' 0 N--CA 1.461 -0.408 0 C-N-CA 122.843 2.362 . . . . 0.0 111.126 176.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.568 ' HA ' ' CD2' ' A' ' 26' ' ' TYR . 5.0 t -79.02 87.19 4.83 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 122.177 0.989 . . . . 0.0 111.187 -175.137 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -83.0 -28.0 30.0 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.968 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -128.07 36.66 4.28 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.032 0.444 . . . . 0.0 111.417 -174.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.48 ' O ' ' HB3' ' A' ' 40' ' ' PRO . . . 61.93 56.69 21.13 Favored Glycine 0 C--O 1.25 1.1 0 CA-C-N 115.749 -0.66 . . . . 0.0 113.248 177.079 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.568 ' CD2' ' HA ' ' A' ' 22' ' ' THR . 23.1 m-85 -59.48 118.05 5.58 Favored 'General case' 0 C--N 1.345 0.372 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 176.135 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.3 m -86.47 -37.66 18.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.795 0.331 . . . . 0.0 110.921 -171.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -123.75 157.3 18.15 Favored Glycine 0 N--CA 1.441 -1.001 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.083 178.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.8 m -133.81 82.86 2.0 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 176.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.473 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 36.3 m -85.35 157.38 20.55 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.374 -178.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.404 ' HA ' ' HD2' ' A' ' 31' ' ' ARG . 7.1 tpt180 -89.2 122.87 32.91 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.277 177.292 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -108.05 156.39 19.31 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.631 -0.878 . . . . 0.0 108.631 176.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.526 ' HB2' HD22 ' A' ' 34' ' ' LEU . 94.6 m-85 -47.0 -44.34 20.15 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -175.587 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.526 HD22 ' HB2' ' A' ' 33' ' ' PHE . 2.7 mm? -101.19 1.26 38.86 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -173.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.42 ' HA3' ' O ' ' A' ' 14' ' ' TRP . . . 165.87 -143.36 8.35 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 119.073 -1.537 . . . . 0.0 114.117 178.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.2 m -106.42 118.07 35.68 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.162 0.506 . . . . 0.0 111.378 -172.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.501 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 41.2 t -81.96 96.98 7.87 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.157 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.456 ' HB3' ' CG ' ' A' ' 26' ' ' TYR . 57.4 m -91.77 109.08 20.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.027 -177.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.43 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 16.6 p -124.32 112.95 27.86 Favored Pre-proline 0 C--N 1.322 -0.626 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 -170.28 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.498 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 37.9 Cg_endo -98.98 -94.69 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.145 0 C-N-CA 123.022 2.481 . . . . 0.0 111.544 163.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -152.72 45.5 0.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 175.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.7 t70 . . . . . 0 C--O 1.249 1.047 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.075 -171.904 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.6 ' HB ' ' CE2' ' A' ' 13' ' ' TYR . 18.2 p . . . . . 0 C--O 1.234 0.257 0 CA-C-O 121.277 0.56 . . . . 0.0 110.476 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.64 163.23 14.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.482 -174.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.4 p -156.1 163.58 39.47 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.155 176.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.3 t -141.43 138.91 33.25 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.446 0.641 . . . . 0.0 111.315 -175.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 55.8 m -121.24 78.42 1.41 Allowed 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.056 -0.975 . . . . 0.0 108.875 176.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.14 -100.22 0.38 Allowed Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.529 -0.759 . . . . 0.0 112.299 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -86.13 -31.32 21.91 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.776 0.322 . . . . 0.0 110.849 -179.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.1 m -86.25 129.29 34.9 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.15 -177.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.628 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 9.7 ptpp? -130.65 137.67 49.7 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 121.158 -0.217 . . . . 0.0 110.504 -177.547 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -170.18 -142.83 3.71 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.062 -1.066 . . . . 0.0 113.593 -177.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.6 mm -127.3 141.69 45.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -171.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.613 ' HE1' ' HB2' ' A' ' 34' ' ' LEU . 3.0 p90 -97.93 134.68 40.72 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 121.501 0.667 . . . . 0.0 110.111 177.613 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 22.5 m95 -104.06 167.86 9.49 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.957 -1.02 . . . . 0.0 109.179 179.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -97.99 105.8 18.0 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 120.61 0.243 . . . . 0.0 110.772 -177.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.521 ' H ' ' HA3' ' A' ' 35' ' ' GLY . 62.3 m-85 53.99 73.99 0.35 Allowed 'General case' 0 C--O 1.25 1.107 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.924 178.21 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.7 mmt180 -119.58 111.2 36.43 Favored Pre-proline 0 C--N 1.341 0.234 0 CA-C-N 116.207 -0.452 . . . . 0.0 109.969 177.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -62.97 -12.39 29.32 Favored 'Trans proline' 0 C--O 1.249 1.069 0 C-N-CA 123.024 2.483 . . . . 0.0 111.929 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.2 p -159.24 134.67 8.45 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 114.804 -1.089 . . . . 0.0 109.242 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 73.7 m -78.98 128.7 75.56 Favored Pre-proline 0 C--N 1.318 -0.8 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.45 178.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -62.42 92.67 0.13 Allowed 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.477 2.118 . . . . 0.0 110.294 174.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.0 t -79.79 55.45 2.05 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.679 0.752 . . . . 0.0 112.497 -166.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -79.66 -38.81 32.84 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 174.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 -84.39 2.73 39.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.885 179.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.06 58.7 5.48 Favored Glycine 0 C--O 1.249 1.081 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.333 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -63.0 124.97 22.45 Favored 'General case' 0 C--N 1.347 0.475 0 CA-C-O 121.039 0.447 . . . . 0.0 110.806 -177.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.2 m -100.26 -28.96 12.72 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.212 0.53 . . . . 0.0 110.61 -173.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -123.66 137.74 11.08 Favored Glycine 0 N--CA 1.443 -0.849 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.68 177.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.9 m -117.66 82.15 1.78 Allowed 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 178.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.637 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 59.5 m -87.99 163.96 16.04 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.042 -177.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.438 ' C ' ' HD3' ' A' ' 31' ' ' ARG . 0.2 OUTLIER -100.91 128.56 46.89 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 177.672 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.448 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 18.5 t80 -113.44 152.78 29.64 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.596 ' HB2' HD22 ' A' ' 34' ' ' LEU . 70.5 m-85 -43.12 -44.08 4.8 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -176.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.613 ' HB2' ' HE1' ' A' ' 13' ' ' TYR . 2.1 mm? -97.36 -6.52 33.98 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -172.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.521 ' HA3' ' H ' ' A' ' 16' ' ' TYR . . . 170.34 -126.07 1.3 Allowed Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 119.829 -1.177 . . . . 0.0 113.897 179.05 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.1 m -115.27 122.8 47.06 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.697 0.284 . . . . 0.0 110.978 -172.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.637 ' HB3' ' HB2' ' A' ' 30' ' ' CYS . 38.9 t -88.07 96.98 10.72 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.205 0.526 . . . . 0.0 109.597 179.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 57.8 m -90.67 108.75 20.01 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.077 -176.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.8 p -120.56 113.32 33.53 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -172.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.628 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 35.7 Cg_endo -97.14 -79.83 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.17 0 C-N-CA 122.442 2.095 . . . . 0.0 111.967 163.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.482 ' HA ' ' HG2' ' A' ' 10' ' ' LYS . . . -176.56 43.08 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 -175.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.8 t70 . . . . . 0 C--O 1.247 0.939 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.503 -172.666 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.463 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 18.5 p . . . . . 0 N--CA 1.454 -0.232 0 CA-C-O 121.097 0.475 . . . . 0.0 110.574 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.492 ' HA ' HD13 ' A' ' 12' ' ' ILE . . . -61.68 145.89 50.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.099 -178.152 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 42.1 t -150.5 163.68 37.83 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.403 -177.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m -146.85 144.02 29.01 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.44 -178.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.2 t -152.29 122.66 7.24 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 176.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.33 -122.54 30.18 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.814 -0.708 . . . . 0.0 111.796 -175.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -94.86 -9.93 32.84 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.829 0.347 . . . . 0.0 110.883 177.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.6 p -95.73 138.43 33.4 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.019 0.438 . . . . 0.0 111.343 -174.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.413 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 58.6 mttp -127.82 140.24 52.16 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.315 178.249 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -167.24 -132.11 1.36 Allowed Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.627 -176.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.492 HD13 ' HA ' ' A' ' 3' ' ' ALA . 50.0 mm -132.3 137.96 53.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -175.16 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.643 ' HE2' ' HB2' ' A' ' 34' ' ' LEU . 11.0 p90 -100.64 139.18 36.69 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.081 -0.647 . . . . 0.0 110.025 177.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.458 ' HB3' ' HG3' ' A' ' 17' ' ' ARG . 20.4 m95 -103.6 146.41 28.6 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.729 -177.286 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -79.38 95.08 5.65 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.667 ' H ' ' HA3' ' A' ' 35' ' ' GLY . 84.2 m-85 58.1 76.04 0.35 Allowed 'General case' 0 C--O 1.25 1.12 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.024 178.346 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.458 ' HG3' ' HB3' ' A' ' 14' ' ' TRP . 17.1 mmm180 -131.51 82.83 60.48 Favored Pre-proline 0 C--N 1.343 0.305 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.677 177.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.41 -24.33 34.89 Favored 'Trans proline' 0 C--O 1.248 1.014 0 C-N-CA 123.607 2.871 . . . . 0.0 113.042 -174.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.9 t -106.9 91.09 3.52 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.481 -0.781 . . . . 0.0 108.974 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.0 t -69.23 116.32 41.1 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.101 -179.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -60.26 115.93 2.98 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.898 2.399 . . . . 0.0 112.134 -176.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.0 t -85.26 23.86 1.22 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.366 0.603 . . . . 0.0 110.377 -176.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -78.69 -25.93 44.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.9 -174.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -118.76 38.99 3.61 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.803 -0.359 . . . . 0.0 111.9 -179.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 55.22 25.41 39.84 Favored Glycine 0 C--O 1.25 1.126 0 N-CA-C 114.595 0.598 . . . . 0.0 114.595 171.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -48.21 120.86 3.84 Favored 'General case' 0 C--N 1.349 0.575 0 O-C-N 124.0 0.47 . . . . 0.0 110.332 175.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.6 m -83.65 -45.76 13.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.985 -171.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -121.19 156.16 16.28 Favored Glycine 0 N--CA 1.441 -1.006 0 C-N-CA 120.978 -0.63 . . . . 0.0 112.136 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.417 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 9.2 t -139.26 103.01 4.64 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 176.323 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 56.9 m -113.88 146.4 40.07 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.551 -176.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.406 ' C ' ' HD3' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -78.16 110.14 12.88 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.501 0.667 . . . . 0.0 109.734 -178.815 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.64 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 43.5 t80 -93.21 158.81 15.57 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 114.893 -1.049 . . . . 0.0 108.694 179.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.57 ' HB2' HD22 ' A' ' 34' ' ' LEU . 53.0 m-85 -43.04 -48.16 6.02 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -176.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.643 ' HB2' ' HE2' ' A' ' 13' ' ' TYR . 3.0 mm? -92.82 -7.56 46.03 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 -174.002 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.667 ' HA3' ' H ' ' A' ' 16' ' ' TYR . . . 165.96 -128.98 1.85 Allowed Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 118.953 -1.594 . . . . 0.0 114.304 178.122 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.6 m -111.1 109.37 19.42 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.057 0.456 . . . . 0.0 111.043 -171.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.64 ' HB2' ' HB2' ' A' ' 32' ' ' TYR . 39.1 t -85.46 110.48 19.2 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.469 -178.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 82.9 m -103.55 116.13 31.81 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.051 0.453 . . . . 0.0 110.001 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.6 p -124.39 113.58 27.6 Favored Pre-proline 0 C--N 1.321 -0.669 0 N-CA-C 112.913 0.709 . . . . 0.0 112.913 -172.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.413 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 37.0 Cg_endo -96.7 -90.33 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 122.787 2.325 . . . . 0.0 111.16 165.349 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -163.85 31.61 0.08 Allowed 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 175.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.5 t70 . . . . . 0 C--O 1.246 0.889 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.476 -168.339 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.554 HG22 ' CE1' ' A' ' 13' ' ' TYR . 1.1 m . . . . . 0 C--O 1.234 0.24 0 CA-C-O 121.472 0.653 . . . . 0.0 109.617 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.458 ' HA ' ' O ' ' A' ' 11' ' ' GLY . . . -66.83 138.92 57.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.884 -1.053 . . . . 0.0 112.337 -173.247 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 52.5 t -146.77 166.78 25.6 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.811 -1.086 . . . . 0.0 108.421 176.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.3 t -146.5 143.37 28.89 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.25 0.547 . . . . 0.0 111.941 -175.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 72.2 m -125.82 94.32 4.08 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.019 -0.991 . . . . 0.0 108.904 173.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.87 -104.78 1.6 Allowed Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.761 -0.733 . . . . 0.0 111.323 -176.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -103.58 -13.81 16.41 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.997 0.427 . . . . 0.0 110.012 176.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.3 m -78.69 134.86 37.08 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.665 -177.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.421 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 34.6 mtmm -131.6 142.14 49.82 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.045 -175.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.458 ' O ' ' HA ' ' A' ' 3' ' ' ALA . . . -175.43 -137.81 2.63 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.352 -0.928 . . . . 0.0 112.634 -178.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.415 HG23 ' HB ' ' A' ' 2' ' ' THR . 48.9 mm -123.64 134.95 64.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 -172.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.563 ' HE2' ' HB2' ' A' ' 34' ' ' LEU . 5.3 p90 -104.28 133.03 49.87 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 120.046 -0.662 . . . . 0.0 110.209 175.494 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.446 ' O ' ' HA3' ' A' ' 35' ' ' GLY . 65.3 m95 -93.26 164.86 13.07 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.245 -176.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -105.37 104.85 14.66 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 120.564 -0.454 . . . . 0.0 111.661 -174.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.427 ' H ' ' HA3' ' A' ' 35' ' ' GLY . 87.7 m-85 59.57 67.51 0.88 Allowed 'General case' 0 C--O 1.25 1.119 0 CA-C-N 115.05 -0.977 . . . . 0.0 112.131 176.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.447 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 50.9 mtt180 -124.46 121.14 25.93 Favored Pre-proline 0 C--N 1.346 0.414 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.512 175.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 17' ' ' ARG . 33.2 Cg_exo -60.91 -13.97 30.03 Favored 'Trans proline' 0 C--O 1.252 1.187 0 C-N-CA 123.417 2.744 . . . . 0.0 113.042 -178.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 59.1 p -138.8 144.55 39.39 Favored 'General case' 0 N--CA 1.45 -0.472 0 O-C-N 123.696 0.622 . . . . 0.0 110.582 -178.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 41.8 t -93.97 116.17 66.1 Favored Pre-proline 0 C--N 1.322 -0.615 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 174.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 20' ' ' CYS . 21.5 Cg_exo -65.18 98.12 0.31 Allowed 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 122.824 2.349 . . . . 0.0 112.034 -179.432 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.0 p -79.08 16.88 0.84 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.217 0.532 . . . . 0.0 111.245 -176.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -78.96 -12.7 60.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.878 177.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.5 ' HB2' ' CE2' ' A' ' 26' ' ' TYR . 17.5 mmm180 -107.63 27.48 9.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.285 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.96 14.19 44.36 Favored Glycine 0 C--O 1.251 1.16 0 CA-C-O 119.662 -0.521 . . . . 0.0 114.324 173.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.619 ' CG ' ' HB3' ' A' ' 38' ' ' CYS . 31.1 m-85 -53.53 133.27 41.07 Favored 'General case' 0 C--N 1.347 0.459 0 O-C-N 123.878 0.399 . . . . 0.0 111.177 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 91.7 m -94.42 -50.6 5.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.777 -176.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -105.69 144.93 15.86 Favored Glycine 0 N--CA 1.442 -0.913 0 N-CA-C 111.608 -0.597 . . . . 0.0 111.608 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.5 p -128.19 87.96 2.68 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.524 0.678 . . . . 0.0 109.756 178.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 16.8 m -103.54 136.21 43.69 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.757 -176.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.74 114.96 18.11 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 177.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.464 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 2.0 t80 -102.25 158.11 16.42 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -178.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -49.43 -40.79 37.95 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 111.849 0.315 . . . . 0.0 111.849 -172.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.563 ' HB2' ' HE2' ' A' ' 13' ' ' TYR . 2.3 mm? -91.9 -13.86 30.56 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 112.392 0.515 . . . . 0.0 112.392 -176.314 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.446 ' HA3' ' O ' ' A' ' 14' ' ' TRP . . . 168.83 -133.69 2.95 Favored Glycine 0 C--O 1.225 -0.453 0 C-N-CA 119.298 -1.43 . . . . 0.0 114.146 -179.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.23 105.79 15.37 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.713 0.292 . . . . 0.0 111.323 -170.133 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.464 ' HB2' ' HB2' ' A' ' 32' ' ' TYR . 51.5 t -80.36 98.08 7.31 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.975 0.417 . . . . 0.0 110.177 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.619 ' HB3' ' CG ' ' A' ' 26' ' ' TYR . 73.4 m -101.34 114.84 29.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.293 -178.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.3 p -125.68 111.28 25.27 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -169.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.522 ' HD3' ' HD1' ' A' ' 26' ' ' TYR . 42.1 Cg_endo -97.27 -90.11 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 122.795 2.33 . . . . 0.0 111.217 165.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -157.24 32.53 0.28 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 174.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.9 t70 . . . . . 0 C--O 1.248 1.002 0 CA-C-N 115.184 -0.917 . . . . 0.0 110.544 -171.877 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.44 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 16.9 p . . . . . 0 N--CA 1.451 -0.394 0 CA-C-O 121.125 0.488 . . . . 0.0 110.642 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.473 ' HA ' HD13 ' A' ' 12' ' ' ILE . . . -75.85 143.7 41.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.758 -176.079 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.488 ' SG ' ' HB3' ' A' ' 13' ' ' TYR . 30.8 p -145.58 174.41 11.19 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.471 175.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.5 m -144.98 140.45 28.2 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.24 0.543 . . . . 0.0 111.646 -177.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 79.6 m -121.11 80.48 1.65 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.532 173.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.03 -98.25 0.62 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 121.011 -0.614 . . . . 0.0 111.888 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -94.3 -24.08 17.57 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.97 0.414 . . . . 0.0 110.527 178.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.8 m -81.3 127.1 32.36 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.517 -176.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.444 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 62.0 mttm -120.07 131.37 55.07 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -178.157 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.483 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -168.92 -141.23 3.15 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 119.566 -1.302 . . . . 0.0 113.586 -178.165 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.473 HD13 ' HA ' ' A' ' 3' ' ' ALA . 50.1 mm -128.93 136.22 60.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.573 -0.313 . . . . 0.0 110.187 -171.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.488 ' HB3' ' SG ' ' A' ' 4' ' ' CYS . 22.9 p90 -97.66 139.74 33.1 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.333 -0.547 . . . . 0.0 109.65 176.072 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 35.1 m95 -109.86 149.96 29.1 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.425 -177.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -79.46 88.94 5.02 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.104 0.478 . . . . 0.0 111.182 -176.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.428 ' H ' ' HA3' ' A' ' 35' ' ' GLY . 88.4 m-85 63.52 64.43 0.81 Allowed 'General case' 0 C--O 1.248 1.02 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.919 176.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.406 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 10.4 mmt180 -100.57 118.67 60.5 Favored Pre-proline 0 C--N 1.345 0.387 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.162 174.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 17' ' ' ARG . 9.7 Cg_exo -71.49 -1.62 10.04 Favored 'Trans proline' 0 C--O 1.248 0.982 0 C-N-CA 122.861 2.374 . . . . 0.0 111.997 -179.196 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.3 t -160.16 133.62 6.94 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.221 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 89.4 m -80.0 123.98 83.27 Favored Pre-proline 0 C--N 1.321 -0.642 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 176.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.433 ' HB2' ' HE2' ' A' ' 26' ' ' TYR . 83.4 Cg_exo -42.4 108.85 0.11 Allowed 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 123.28 2.653 . . . . 0.0 112.281 178.487 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.2 t -77.4 -3.46 40.35 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.792 -169.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.46 ' HB2' ' NH1' ' A' ' 24' ' ' ARG . 3.6 m-20 -79.21 -22.06 45.43 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.301 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.46 ' NH1' ' HB2' ' A' ' 23' ' ' ASP . 2.3 mpp_? -104.59 17.89 23.27 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.629 -178.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 49.68 32.92 17.82 Favored Glycine 0 C--O 1.25 1.121 0 N-CA-C 114.959 0.744 . . . . 0.0 114.959 171.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.433 ' HE2' ' HB2' ' A' ' 21' ' ' PRO . 44.0 m-85 -53.45 131.21 37.73 Favored 'General case' 0 C--N 1.345 0.411 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 174.06 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.5 m -96.02 -46.38 6.53 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.134 0.492 . . . . 0.0 110.804 -174.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -99.95 155.89 19.64 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.633 178.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 39.9 m -144.88 76.56 1.5 Allowed 'General case' 0 C--N 1.319 -0.717 0 CA-C-O 121.566 0.698 . . . . 0.0 109.551 -179.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.7 m -92.76 140.31 29.65 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.076 -175.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -79.07 103.82 9.28 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 176.386 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.599 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 25.4 t80 -90.51 157.16 17.69 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.193 -0.912 . . . . 0.0 108.919 -178.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.448 ' HB2' HD22 ' A' ' 34' ' ' LEU . 58.2 m-85 -41.91 -45.38 3.72 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 123.56 0.538 . . . . 0.0 112.301 -177.013 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.469 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 2.1 mm? -90.24 -17.68 27.04 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -173.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.428 ' HA3' ' H ' ' A' ' 16' ' ' TYR . . . 170.63 -129.13 1.74 Allowed Glycine 0 C--O 1.227 -0.339 0 C-N-CA 119.574 -1.298 . . . . 0.0 113.616 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.8 m -108.91 108.9 19.84 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.832 0.349 . . . . 0.0 110.781 -174.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.599 ' HB2' ' HB2' ' A' ' 32' ' ' TYR . 49.8 t -80.76 97.91 7.53 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.953 179.417 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.416 ' HB3' ' CG ' ' A' ' 26' ' ' TYR . 56.3 m -94.57 107.3 19.29 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.485 -178.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.483 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 7.4 p -119.29 113.55 35.25 Favored Pre-proline 0 C--N 1.322 -0.629 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -170.15 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.444 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 31.6 Cg_endo -92.41 -93.6 0.0 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.28 0 C-N-CA 122.337 2.025 . . . . 0.0 110.992 165.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -163.64 49.5 0.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 175.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.2 t70 . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.917 -173.911 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.511 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 16.6 p . . . . . 0 C--O 1.233 0.2 0 CA-C-O 121.379 0.609 . . . . 0.0 110.643 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.69 150.13 28.17 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.737 -175.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.44 ' SG ' ' HB3' ' A' ' 13' ' ' TYR . 25.6 p -149.52 176.99 10.13 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.026 175.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.5 m -148.47 143.84 26.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.038 0.447 . . . . 0.0 111.42 -178.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 84.9 m -121.87 93.32 3.96 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.568 175.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.61 -96.6 0.58 Allowed Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.755 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -102.59 -21.12 14.22 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.699 0.285 . . . . 0.0 110.618 178.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.0 p -83.49 145.02 29.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.82 0.343 . . . . 0.0 110.984 -173.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.554 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 28.0 mtmt -125.66 146.38 49.75 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.523 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -174.94 -149.83 7.46 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.011 -1.09 . . . . 0.0 113.037 178.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.4 mm -124.74 136.61 60.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 -173.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.571 ' CE2' ' HB2' ' A' ' 34' ' ' LEU . 20.9 p90 -99.24 141.21 32.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.317 0.579 . . . . 0.0 109.947 177.451 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.566 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 42.5 m95 -105.39 151.4 24.25 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.921 -1.036 . . . . 0.0 108.778 -178.48 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -79.89 93.28 5.63 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 120.923 0.392 . . . . 0.0 111.064 -175.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.604 ' H ' ' HA3' ' A' ' 35' ' ' GLY . 75.0 m-85 58.73 74.46 0.44 Allowed 'General case' 0 C--O 1.248 1.009 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.772 177.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.566 ' HD2' ' HB3' ' A' ' 14' ' ' TRP . 53.2 mtt180 -137.78 80.88 29.89 Favored Pre-proline 0 N--CA 1.452 -0.367 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.975 177.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.47 -17.68 35.36 Favored 'Trans proline' 0 C--O 1.25 1.097 0 C-N-CA 123.421 2.748 . . . . 0.0 112.742 -175.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.5 m -113.74 88.11 2.77 Favored 'General case' 0 N--CA 1.449 -0.519 0 O-C-N 124.116 0.885 . . . . 0.0 109.05 177.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.4 t -79.1 135.8 58.05 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.914 -174.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -69.55 90.24 0.5 Allowed 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 123.008 2.472 . . . . 0.0 110.954 176.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.441 ' HA ' ' HD2' ' A' ' 26' ' ' TYR . 12.5 t -78.7 13.0 1.81 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.784 -169.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.458 ' HB2' HH11 ' A' ' 24' ' ' ARG . 4.2 m-20 -76.35 -7.89 55.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.196 0.522 . . . . 0.0 110.446 -177.065 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.458 HH11 ' HB2' ' A' ' 23' ' ' ASP . 7.3 mpt_? -88.47 4.02 48.03 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.932 178.217 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.515 ' O ' ' HB3' ' A' ' 40' ' ' PRO . . . 85.27 26.49 36.34 Favored Glycine 0 C--O 1.248 0.987 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.973 -179.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.447 ' HD1' ' HD3' ' A' ' 40' ' ' PRO . 35.6 m-85 -65.7 131.94 47.55 Favored 'General case' 0 C--N 1.348 0.523 0 O-C-N 123.999 0.47 . . . . 0.0 110.72 -178.359 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.5 m -96.04 -50.03 5.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.827 -177.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -112.77 162.05 12.49 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.562 -178.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.7 m -143.38 82.39 1.74 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 177.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 23.4 m -93.71 158.65 15.57 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.469 -175.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -80.04 120.86 24.77 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.021 0.439 . . . . 0.0 109.843 174.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.509 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 42.0 t80 -107.49 154.28 21.6 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 176.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.49 ' HB2' HD22 ' A' ' 34' ' ' LEU . 75.9 m-85 -47.09 -46.25 22.58 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.738 0.304 . . . . 0.0 111.761 -176.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.571 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 2.4 mm? -93.23 -4.25 52.29 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -175.225 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.604 ' HA3' ' H ' ' A' ' 16' ' ' TYR . . . 165.92 -130.45 2.15 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 119.229 -1.462 . . . . 0.0 114.12 178.028 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.3 m -115.55 116.67 28.55 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 120.85 0.357 . . . . 0.0 110.521 -172.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.509 ' HB2' ' HB2' ' A' ' 32' ' ' TYR . 35.5 t -87.56 112.12 21.93 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 -176.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 60.0 m -102.92 110.89 22.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.015 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.523 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 29.3 p -118.82 112.07 36.99 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -172.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.554 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 20.7 Cg_endo -90.1 -95.14 0.0 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.284 0 C-N-CA 122.503 2.136 . . . . 0.0 110.748 161.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -154.6 40.91 0.46 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.33 0.586 . . . . 0.0 109.908 176.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.3 t70 . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.431 -0.795 . . . . 0.0 110.619 -173.298 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.476 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 1.2 p . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 121.128 0.489 . . . . 0.0 110.741 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' A' ' 11' ' ' GLY . . . -83.35 140.86 32.18 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.576 -174.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.617 ' SG ' ' HB3' ' A' ' 13' ' ' TYR . 29.4 p -142.96 163.52 32.55 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.219 175.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m -126.89 131.4 51.16 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.38 0.61 . . . . 0.0 111.862 -176.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 72.3 m -116.17 86.23 2.45 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.09 174.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.74 -104.52 0.66 Allowed Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.301 -178.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -91.04 -26.55 19.13 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.85 0.357 . . . . 0.0 110.837 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.1 p -86.68 125.99 34.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.896 0.379 . . . . 0.0 110.827 -177.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.438 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 61.6 mttm -123.84 135.69 53.91 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 -177.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.475 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -168.83 -145.22 4.51 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 119.83 -1.176 . . . . 0.0 113.389 -177.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.1 mm -120.82 135.18 61.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 -173.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.617 ' HB3' ' SG ' ' A' ' 4' ' ' CYS . 11.8 p90 -103.6 140.82 37.04 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.241 0.543 . . . . 0.0 110.079 177.06 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.494 ' O ' ' HA3' ' A' ' 35' ' ' GLY . 33.8 m95 -110.31 139.61 45.32 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.402 -174.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -77.16 107.66 9.7 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.902 0.382 . . . . 0.0 111.217 -170.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 53.35 39.28 29.61 Favored 'General case' 0 C--O 1.247 0.954 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.364 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.418 ' HD3' ' HB3' ' A' ' 14' ' ' TRP . 36.7 mtp180 -121.78 91.68 48.68 Favored Pre-proline 0 C--N 1.344 0.342 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.051 178.103 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -84.34 56.92 5.06 Favored 'Trans proline' 0 C--O 1.251 1.166 0 C-N-CA 122.972 2.448 . . . . 0.0 112.134 -179.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.0 m -152.77 79.69 1.21 Allowed 'General case' 0 C--N 1.345 0.404 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.138 179.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 85.8 m -72.29 116.24 47.08 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.509 -178.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.563 ' HD2' ' CE2' ' A' ' 26' ' ' TYR . 53.4 Cg_exo -54.7 122.71 12.11 Favored 'Trans proline' 0 C--O 1.24 0.614 0 C-N-CA 123.478 2.785 . . . . 0.0 113.007 177.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.5 t -79.59 -18.56 51.37 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.252 -178.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -79.3 -18.74 52.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.122 0.487 . . . . 0.0 109.93 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -80.67 -8.97 59.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.227 175.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.493 ' O ' ' HB3' ' A' ' 40' ' ' PRO . . . 79.61 21.16 67.12 Favored Glycine 0 C--O 1.248 1.013 0 CA-C-N 115.579 -0.737 . . . . 0.0 112.763 178.62 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.563 ' CE2' ' HD2' ' A' ' 21' ' ' PRO . 19.7 m-85 -63.64 127.56 31.91 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 123.778 0.34 . . . . 0.0 110.624 -179.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.5 m -94.39 -43.93 8.15 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.008 0.432 . . . . 0.0 110.984 -174.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -118.18 168.52 13.13 Favored Glycine 0 N--CA 1.442 -0.907 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.303 179.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.1 m -144.04 78.19 1.58 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.188 0.518 . . . . 0.0 109.65 -178.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.529 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 3.7 m -81.14 148.46 29.58 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.971 -176.109 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.437 HH11 ' HD3' ' A' ' 31' ' ' ARG . 4.1 tpt180 -85.62 111.46 20.09 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.021 -0.671 . . . . 0.0 110.037 174.248 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -101.19 159.08 15.55 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.633 ' HB3' HD22 ' A' ' 34' ' ' LEU . 32.8 t80 -47.1 -45.06 21.87 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -174.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.633 HD22 ' HB3' ' A' ' 33' ' ' PHE . 2.8 mm? -101.45 1.98 38.84 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -174.117 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.494 ' HA3' ' O ' ' A' ' 14' ' ' TRP . . . 165.88 -143.86 8.75 Favored Glycine 0 C--O 1.224 -0.531 0 C-N-CA 119.05 -1.547 . . . . 0.0 113.756 179.201 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.423 ' O ' ' HA ' ' A' ' 13' ' ' TYR . 6.5 m -113.16 120.77 42.4 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.793 0.33 . . . . 0.0 110.958 -174.468 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.529 ' HB2' ' HB2' ' A' ' 30' ' ' CYS . 1.3 m -79.68 95.11 5.85 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.634 177.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.504 ' HB3' ' CG ' ' A' ' 26' ' ' TYR . 58.8 m -82.62 97.27 8.41 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 176.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.475 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 2.0 p -111.5 110.18 55.61 Favored Pre-proline 0 C--N 1.322 -0.628 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 -168.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.493 ' HB3' ' O ' ' A' ' 25' ' ' GLY . 59.0 Cg_endo -97.97 -97.85 0.0 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.299 0 C-N-CA 122.935 2.423 . . . . 0.0 111.271 166.283 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -169.59 38.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 176.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.2 t70 . . . . . 0 C--O 1.247 0.97 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.791 -168.642 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.1 p . . . . . 0 C--O 1.232 0.147 0 CA-C-O 121.429 0.633 . . . . 0.0 110.117 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.479 ' HA ' ' O ' ' A' ' 11' ' ' GLY . . . -71.45 142.32 50.24 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.051 -0.977 . . . . 0.0 112.519 -172.044 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.644 ' SG ' ' HB3' ' A' ' 13' ' ' TYR . 28.3 p -149.33 157.84 43.67 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 173.59 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.0 t -129.51 141.41 51.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.343 0.592 . . . . 0.0 111.559 -176.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 77.3 m -116.81 90.54 3.36 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.458 175.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.44 -100.65 0.49 Allowed Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.264 -178.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -91.04 -32.75 15.78 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.889 0.376 . . . . 0.0 110.5 177.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.9 m -79.22 143.75 35.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.679 -173.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.518 ' HG2' ' HA ' ' A' ' 41' ' ' ALA . 13.3 ptmm? -136.9 140.26 42.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.697 -0.229 . . . . 0.0 110.481 -178.403 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.479 ' O ' ' HA ' ' A' ' 3' ' ' ALA . . . -169.7 -140.16 2.91 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.142 -1.028 . . . . 0.0 112.795 -178.409 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.5 mm -125.96 134.91 65.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 -173.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.644 ' HB3' ' SG ' ' A' ' 4' ' ' CYS . 3.7 p90 -96.76 133.4 41.38 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 121.436 0.636 . . . . 0.0 110.083 175.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.494 ' O ' ' HA3' ' A' ' 35' ' ' GLY . 13.5 m95 -101.79 143.0 32.26 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.51 -175.483 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -79.31 108.56 12.91 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 120.828 0.347 . . . . 0.0 111.522 -174.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 53.38 67.57 0.98 Allowed 'General case' 0 C--O 1.252 1.212 0 CA-C-N 115.078 -0.965 . . . . 0.0 112.699 175.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -109.98 118.46 49.75 Favored Pre-proline 0 C--N 1.343 0.292 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.235 174.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.14 -17.78 33.59 Favored 'Trans proline' 0 C--O 1.251 1.157 0 C-N-CA 123.197 2.598 . . . . 0.0 112.824 -175.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.2 t -160.49 142.13 12.42 Favored 'General case' 0 N--CA 1.449 -0.521 0 O-C-N 124.158 0.911 . . . . 0.0 109.039 178.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.1 t -80.42 116.43 61.74 Favored Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 178.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.437 ' HB2' ' OD2' ' A' ' 23' ' ' ASP . 43.2 Cg_endo -71.02 122.75 9.07 Favored 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.54 2.16 . . . . 0.0 111.387 -178.581 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.9 t -81.51 56.04 2.83 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.963 0.887 . . . . 0.0 111.58 -172.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.437 ' OD2' ' HB2' ' A' ' 21' ' ' PRO . 18.4 m-20 -85.57 -45.35 11.84 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.25 177.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.573 ' HB2' ' CZ ' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -101.16 29.93 4.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.476 . . . . 0.0 112.094 -175.09 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 48.56 33.61 12.47 Favored Glycine 0 C--O 1.25 1.156 0 CA-C-O 119.835 -0.425 . . . . 0.0 113.87 174.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.573 ' CZ ' ' HB2' ' A' ' 24' ' ' ARG . 45.7 m-85 -47.65 134.96 12.07 Favored 'General case' 0 C--N 1.345 0.372 0 O-C-N 124.518 0.775 . . . . 0.0 110.976 176.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.5 m -88.69 -50.63 6.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.757 -175.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -118.57 119.24 4.29 Favored Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.402 -178.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.8 m -99.25 90.91 4.73 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 175.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.435 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 56.2 m -94.73 150.23 20.42 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.001 -177.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.413 ' HD2' ' O ' ' A' ' 35' ' ' GLY . 1.1 tmm_? -84.34 99.16 10.44 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 120.203 -0.599 . . . . 0.0 109.637 176.089 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.73 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 33.1 t80 -80.26 161.43 25.14 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 177.526 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.645 ' HB2' HD22 ' A' ' 34' ' ' LEU . 45.5 m-85 -48.82 -38.68 22.9 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -171.469 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.645 HD22 ' HB2' ' A' ' 33' ' ' PHE . 2.6 mm? -113.97 10.33 17.56 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -175.189 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.494 ' HA3' ' O ' ' A' ' 14' ' ' TRP . . . 165.07 -146.26 11.06 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 118.563 -1.78 . . . . 0.0 114.552 178.166 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.3 m -104.07 108.13 19.35 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 120.968 0.413 . . . . 0.0 111.435 -170.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.73 ' HB2' ' HB2' ' A' ' 32' ' ' TYR . 51.5 t -79.86 94.31 5.8 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.777 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.513 ' HB3' ' CG ' ' A' ' 26' ' ' TYR . 72.5 m -91.57 103.06 15.71 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.104 -178.247 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.449 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 71.2 p -116.86 109.24 43.33 Favored Pre-proline 0 C--N 1.329 -0.313 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -171.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.487 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 16.9 Cg_endo -93.13 -77.49 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.139 0 C-N-CA 122.438 2.092 . . . . 0.0 111.587 165.26 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.518 ' HA ' ' HG2' ' A' ' 10' ' ' LYS . . . -177.89 33.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 -178.423 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.4 t70 . . . . . 0 C--O 1.247 0.957 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.424 -172.46 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.553 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 5.0 p . . . . . 0 C--O 1.236 0.346 0 CA-C-O 121.429 0.633 . . . . 0.0 110.805 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.96 141.35 57.64 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.397 -177.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 18.6 t -145.53 150.18 35.96 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.718 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.7 m -129.58 138.69 51.43 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.45 0.643 . . . . 0.0 111.698 -177.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 82.6 m -119.25 75.05 1.02 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.844 -1.071 . . . . 0.0 108.569 172.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.62 -101.09 0.36 Allowed Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.246 -177.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -79.61 -37.45 36.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.914 0.388 . . . . 0.0 110.344 178.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.0 t -79.69 137.61 37.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.88 -172.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.473 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 59.8 mttp -137.26 141.08 42.0 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.511 -0.181 . . . . 0.0 110.511 -176.152 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.508 ' N ' HG22 ' A' ' 39' ' ' THR . . . -178.14 -139.89 3.62 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.627 -0.797 . . . . 0.0 113.089 -177.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.3 mm -127.1 136.1 61.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.699 0.285 . . . . 0.0 110.629 -171.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.553 ' CE1' ' HB ' ' A' ' 2' ' ' THR . 18.5 p90 -100.74 142.55 32.05 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.092 -0.643 . . . . 0.0 109.979 176.115 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.467 ' O ' ' HA3' ' A' ' 35' ' ' GLY . 74.8 m95 -108.78 138.13 45.61 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.935 -175.384 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -77.09 118.38 19.58 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.132 0.491 . . . . 0.0 111.74 -173.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 52.11 31.53 9.07 Favored 'General case' 0 C--O 1.25 1.121 0 CA-C-N 114.715 -1.13 . . . . 0.0 113.84 173.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 74.2 mtt180 -96.79 100.64 7.65 Favored Pre-proline 0 C--N 1.341 0.235 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 167.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -65.09 -10.46 25.72 Favored 'Trans proline' 0 C--O 1.25 1.08 0 C-N-CA 122.732 2.288 . . . . 0.0 112.437 -176.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.2 t -117.16 115.1 24.68 Favored 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 124.087 0.867 . . . . 0.0 109.631 179.045 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.529 ' HB2' HG21 ' A' ' 36' ' ' THR . 42.1 t -71.18 125.52 91.93 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-O 120.747 0.308 . . . . 0.0 110.571 179.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 20' ' ' CYS . 8.7 Cg_exo -71.84 67.5 3.12 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.863 2.375 . . . . 0.0 111.441 176.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.6 t -76.99 8.28 3.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.812 0.815 . . . . 0.0 110.702 -175.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -78.38 -17.51 56.36 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.116 -0.947 . . . . 0.0 109.175 173.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.4 mtp180 -94.33 30.26 2.0 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.259 -178.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.63 -9.79 64.06 Favored Glycine 0 C--O 1.25 1.132 0 C-N-CA 120.998 -0.62 . . . . 0.0 114.04 172.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.511 ' HD1' ' HD3' ' A' ' 40' ' ' PRO . 30.5 m-85 -57.28 130.77 47.7 Favored 'General case' 0 C--N 1.346 0.437 0 O-C-N 123.743 0.319 . . . . 0.0 110.291 178.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.662 HG22 ' HA ' ' A' ' 40' ' ' PRO . 15.2 t -101.88 -33.81 9.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.14 0.495 . . . . 0.0 110.696 -174.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -110.55 150.4 17.66 Favored Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 111.69 -0.564 . . . . 0.0 111.69 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.4 m -134.95 82.73 1.98 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.335 0.588 . . . . 0.0 110.338 -177.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 11.3 m -92.26 164.83 13.39 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 -100.35 127.79 46.57 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 119.602 -0.839 . . . . 0.0 110.356 172.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -96.06 154.58 17.16 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 172.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.603 ' HB3' HD22 ' A' ' 34' ' ' LEU . 38.6 t80 -52.16 -30.63 27.69 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 118.627 0.649 . . . . 0.0 111.927 -174.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.603 HD22 ' HB3' ' A' ' 33' ' ' PHE . 2.6 mm? -108.11 0.48 21.66 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 112.481 0.548 . . . . 0.0 112.481 -173.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.467 ' HA3' ' O ' ' A' ' 14' ' ' TRP . . . 172.56 -156.3 24.85 Favored Glycine 0 C--O 1.224 -0.52 0 C-N-CA 119.621 -1.276 . . . . 0.0 113.117 178.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.529 HG21 ' HB2' ' A' ' 20' ' ' CYS . 73.8 m -100.04 122.83 43.52 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.228 0.537 . . . . 0.0 110.836 -178.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 44.7 t -87.37 99.95 12.37 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.089 -178.635 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.452 ' HB3' ' CG ' ' A' ' 26' ' ' TYR . 72.7 m -96.95 110.28 22.84 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.041 -178.61 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.508 HG22 ' N ' ' A' ' 11' ' ' GLY . 21.6 p -121.14 120.87 28.96 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.371 -171.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.662 ' HA ' HG22 ' A' ' 27' ' ' THR . 54.0 Cg_endo -99.11 -94.55 0.0 OUTLIER 'Trans proline' 0 N--CA 1.443 -1.468 0 C-N-CA 122.894 2.396 . . . . 0.0 110.919 163.268 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -151.4 48.46 0.82 Allowed 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 173.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.486 ' HB3' ' HA2' ' A' ' 11' ' ' GLY . 17.0 t70 . . . . . 0 C--O 1.246 0.906 0 CA-C-O 118.443 -0.789 . . . . 0.0 110.178 -173.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.593 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 6.6 p . . . . . 0 C--O 1.236 0.385 0 CA-C-O 121.565 0.698 . . . . 0.0 109.842 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.11 132.06 45.98 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 114.829 -1.078 . . . . 0.0 112.996 -167.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.4 ' SG ' ' HD2' ' A' ' 32' ' ' TYR . 43.4 t -138.64 153.75 48.62 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 114.823 -1.081 . . . . 0.0 108.959 171.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 m -142.88 134.83 27.0 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.03 0.443 . . . . 0.0 111.107 -178.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 61.7 m -129.43 81.94 2.05 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.364 177.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.64 -105.46 1.24 Allowed Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.555 178.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -87.97 -15.13 37.36 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.193 0.52 . . . . 0.0 110.345 -177.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.1 m -100.93 138.88 37.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.044 -177.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.505 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -124.48 147.04 48.61 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 178.14 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.506 ' HA2' ' O ' ' A' ' 42' ' ' ASP . . . -173.79 -150.63 7.69 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 119.44 -1.362 . . . . 0.0 114.169 -178.132 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 47.7 mm -123.82 138.41 53.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 114.921 -0.64 . . . . 0.0 110.292 -169.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.593 ' CE1' ' HB ' ' A' ' 2' ' ' THR . 12.2 p90 -104.89 140.54 37.99 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.444 177.286 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 26.7 m95 -102.24 139.76 37.42 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.827 -177.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.424 ' CE2' HG21 ' A' ' 2' ' ' THR . 93.0 m-85 -78.61 112.23 15.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.656 -172.104 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 51.7 p90 43.11 25.69 0.06 Allowed 'General case' 0 C--O 1.247 0.964 0 C-N-CA 124.879 1.272 . . . . 0.0 113.784 178.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 17' ' ' ARG . 27.0 mtp85 -100.53 116.11 64.65 Favored Pre-proline 0 N--CA 1.45 -0.462 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.075 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -83.49 34.51 0.54 Allowed 'Trans proline' 0 C--O 1.25 1.076 0 C-N-CA 123.352 2.701 . . . . 0.0 111.269 174.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.4 p -136.33 97.16 3.52 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.428 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.6 t -106.51 108.48 61.91 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.541 178.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_endo -80.63 146.43 16.9 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 122.583 2.188 . . . . 0.0 113.012 -175.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.8 t -79.31 53.52 1.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 122.393 1.092 . . . . 0.0 109.456 177.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -102.03 -44.47 5.46 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.047 -0.979 . . . . 0.0 111.511 -176.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 26' ' ' TYR . 22.8 mmm180 -95.8 28.47 3.06 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.469 -173.566 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 55.18 25.2 38.82 Favored Glycine 0 C--O 1.248 1.0 0 C-N-CA 121.104 -0.569 . . . . 0.0 113.128 177.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.472 ' CZ ' ' HB2' ' A' ' 24' ' ' ARG . 34.7 m-85 -48.47 127.76 13.69 Favored 'General case' 0 C--N 1.348 0.501 0 O-C-N 124.49 0.759 . . . . 0.0 111.129 177.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.477 HG22 ' HA ' ' A' ' 40' ' ' PRO . 14.9 t -108.73 -20.14 13.18 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.002 0.429 . . . . 0.0 110.551 -177.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -139.96 168.09 25.17 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.961 -0.638 . . . . 0.0 111.923 179.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.0 t -142.22 137.31 30.67 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.068 0.461 . . . . 0.0 110.046 179.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 60.6 m -136.92 177.44 7.85 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.74 -178.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.437 HH11 ' HD3' ' A' ' 31' ' ' ARG . 8.9 tpt180 -102.57 133.79 46.97 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 176.065 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.4 ' HD2' ' SG ' ' A' ' 4' ' ' CYS . 7.4 t80 -119.48 154.54 33.61 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 177.404 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.602 ' HB2' HD22 ' A' ' 34' ' ' LEU . 40.4 m-85 -45.04 -44.15 9.92 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -175.032 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.602 HD22 ' HB2' ' A' ' 33' ' ' PHE . 2.6 mm? -94.65 -10.38 32.02 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 -173.591 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.43 -133.97 3.06 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 119.176 -1.488 . . . . 0.0 113.714 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 17.7 m -95.48 136.54 35.73 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.616 0.246 . . . . 0.0 110.629 -171.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 18.1 t -106.44 129.25 54.45 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 120.832 0.349 . . . . 0.0 110.094 176.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 81.5 m -124.18 118.29 26.53 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.498 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 3.2 p -121.51 116.55 30.62 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 113.08 0.771 . . . . 0.0 113.08 -172.053 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.505 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 72.7 Cg_endo -98.79 -102.0 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 123.309 2.673 . . . . 0.0 110.852 162.682 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -135.58 5.46 3.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.237 0.541 . . . . 0.0 110.331 172.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.506 ' O ' ' HA2' ' A' ' 11' ' ' GLY . 11.3 m-20 . . . . . 0 C--O 1.243 0.721 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.248 -174.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.1 p . . . . . 0 N--CA 1.455 -0.207 0 CA-C-O 121.33 0.586 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -89.26 143.96 26.45 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.653 -177.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.6 p -138.96 152.89 48.06 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.635 178.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m -118.5 135.62 54.28 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.998 0.428 . . . . 0.0 110.949 -177.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 95.4 m -129.68 79.95 1.93 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.037 177.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.53 -105.45 1.6 Allowed Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.477 177.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -93.79 -10.36 34.44 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.839 0.352 . . . . 0.0 110.728 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.9 m -105.79 125.05 50.53 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.568 -175.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.589 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 37.6 tttm -114.84 138.77 50.38 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 176.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.534 ' N ' HG22 ' A' ' 39' ' ' THR . . . -165.59 -147.56 5.2 Favored Glycine 0 N--CA 1.442 -0.903 0 C-N-CA 120.304 -0.95 . . . . 0.0 112.773 -179.237 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.6 mm -129.15 136.87 58.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 -171.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.633 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 9.7 p90 -91.82 135.34 33.99 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 120.041 -0.664 . . . . 0.0 109.235 175.338 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.726 ' HB3' ' HG3' ' A' ' 17' ' ' ARG . 38.7 m95 -110.77 142.74 42.33 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.395 -0.821 . . . . 0.0 109.866 -176.2 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -79.46 112.89 17.15 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.87 -178.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 57.85 61.52 2.37 Favored 'General case' 0 C--O 1.249 1.049 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.71 173.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.726 ' HG3' ' HB3' ' A' ' 14' ' ' TRP . 16.9 mmt180 -121.3 109.98 34.62 Favored Pre-proline 0 C--N 1.347 0.493 0 O-C-N 123.272 0.358 . . . . 0.0 110.426 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 17' ' ' ARG . 12.0 Cg_exo -71.18 -1.87 10.26 Favored 'Trans proline' 0 C--O 1.25 1.124 0 C-N-CA 123.177 2.585 . . . . 0.0 113.097 -176.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.2 m -154.32 141.1 19.09 Favored 'General case' 0 C--N 1.342 0.279 0 O-C-N 123.627 0.58 . . . . 0.0 110.301 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 98.9 m -89.8 127.17 55.15 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.302 178.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -47.11 109.88 0.25 Allowed 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 123.181 2.587 . . . . 0.0 112.426 177.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.7 t -79.23 -9.13 59.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.773 -174.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.6 p-10 -79.98 -25.1 40.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.807 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 24' ' ' ARG . 44.7 mtp85 -92.29 -1.89 56.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.199 0.523 . . . . 0.0 109.776 172.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.525 ' O ' ' HB3' ' A' ' 40' ' ' PRO . . . 73.18 27.14 68.89 Favored Glycine 0 C--O 1.247 0.938 0 CA-C-N 115.415 -0.811 . . . . 0.0 113.89 174.079 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.615 ' HD1' ' HD3' ' A' ' 40' ' ' PRO . 64.3 m-85 -56.94 120.55 8.15 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 177.565 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.9 m -96.06 -40.89 9.01 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.013 0.435 . . . . 0.0 111.22 -170.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -109.99 159.66 13.81 Favored Glycine 0 N--CA 1.443 -0.85 0 C-N-CA 121.036 -0.602 . . . . 0.0 112.245 -176.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.6 m -135.88 92.41 2.81 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.128 0.489 . . . . 0.0 109.896 178.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.48 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 36.4 m -92.33 138.06 31.84 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 178.488 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.79 96.65 6.35 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.372 0.606 . . . . 0.0 109.837 -178.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.588 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 33.9 t80 -84.4 150.53 25.27 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.167 -178.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.518 ' HB3' HD22 ' A' ' 34' ' ' LEU . 33.5 t80 -47.51 -43.06 24.37 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.774 0.321 . . . . 0.0 111.636 -174.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.518 HD22 ' HB3' ' A' ' 33' ' ' PHE . 2.4 mm? -95.56 -7.23 38.47 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 -174.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 167.3 -148.28 12.9 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 119.13 -1.51 . . . . 0.0 114.031 178.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.1 m -95.34 107.68 19.82 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.337 -0.431 . . . . 0.0 110.929 -173.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.633 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 27.5 t -79.89 95.98 6.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.192 0.52 . . . . 0.0 109.898 178.275 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.435 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 63.7 m -91.41 114.95 27.61 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.765 -178.181 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.534 HG22 ' N ' ' A' ' 11' ' ' GLY . 2.2 p -121.65 114.29 31.46 Favored Pre-proline 0 C--N 1.322 -0.592 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -172.32 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.615 ' HD3' ' HD1' ' A' ' 26' ' ' TYR . 74.2 Cg_endo -102.87 -100.84 0.0 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.28 0 C-N-CA 123.293 2.662 . . . . 0.0 111.423 164.439 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -147.35 38.78 0.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 175.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 33.0 t70 . . . . . 0 C--O 1.245 0.829 0 CA-C-N 114.356 -1.293 . . . . 0.0 110.056 -170.533 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.498 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 24.8 p . . . . . 0 C--O 1.235 0.326 0 CA-C-O 121.505 0.669 . . . . 0.0 110.732 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.43 116.79 19.87 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.076 -0.966 . . . . 0.0 111.137 -177.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.436 ' SG ' ' HB3' ' A' ' 13' ' ' TYR . 6.1 p -117.52 167.73 11.03 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.933 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 p -138.49 127.4 23.84 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.277 0.561 . . . . 0.0 112.205 -177.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 72.4 m -106.77 90.88 3.45 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 172.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.97 -102.63 1.09 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.708 -0.758 . . . . 0.0 111.724 -177.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -107.68 -0.88 21.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.862 0.363 . . . . 0.0 110.48 178.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.9 m -93.24 122.91 36.11 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.195 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.437 ' HE3' ' HB2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -110.42 126.86 54.75 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.661 ' CA ' ' HD2' ' A' ' 40' ' ' PRO . . . -152.13 -155.81 7.21 Favored Glycine 0 N--CA 1.443 -0.862 0 C-N-CA 120.308 -0.948 . . . . 0.0 113.22 -176.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.7 mm -125.38 132.6 70.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -172.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.547 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 19.5 p90 -102.6 140.28 37.09 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 119.966 -0.694 . . . . 0.0 110.846 178.093 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.53 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 57.3 m95 -104.64 142.15 35.17 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.616 -177.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -78.62 124.74 28.49 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -170.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 45.1 p90 45.38 25.42 0.22 Allowed 'General case' 0 C--O 1.25 1.115 0 C-N-CA 125.321 1.448 . . . . 0.0 114.271 177.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.53 ' HD2' ' HB3' ' A' ' 14' ' ' TRP . 55.5 mtt180 -89.58 117.1 67.86 Favored Pre-proline 0 C--N 1.342 0.246 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 175.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -82.69 27.02 0.62 Allowed 'Trans proline' 0 C--O 1.25 1.124 0 C-N-CA 122.978 2.452 . . . . 0.0 112.754 -176.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.6 t -159.01 153.98 25.03 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 178.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.6 t -108.38 115.64 57.72 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-O 120.705 0.288 . . . . 0.0 110.228 -178.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -77.87 81.14 2.77 Favored 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 122.839 2.359 . . . . 0.0 110.836 178.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.0 t -97.28 86.01 3.81 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 122.321 1.057 . . . . 0.0 112.506 -173.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -116.26 0.83 12.99 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 164.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -95.61 -11.74 26.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.315 -1.311 . . . . 0.0 110.629 -176.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.95 52.74 1.88 Allowed Glycine 0 C--O 1.247 0.96 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.758 -177.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.626 ' CG ' ' HB3' ' A' ' 38' ' ' CYS . 30.6 m-85 -88.3 115.73 26.0 Favored 'General case' 0 C--N 1.343 0.292 0 O-C-N 123.822 0.366 . . . . 0.0 110.136 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.3 m -82.0 -46.0 14.57 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.111 0.481 . . . . 0.0 110.258 -176.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -112.39 160.69 13.02 Favored Glycine 0 N--CA 1.442 -0.902 0 C-N-CA 120.653 -0.785 . . . . 0.0 112.147 -179.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.0 m -144.61 81.53 1.66 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.47 0.652 . . . . 0.0 110.024 176.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.475 ' O ' ' HB3' ' A' ' 37' ' ' CYS . 2.0 m -97.07 142.6 28.81 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 -177.61 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -79.73 120.87 24.62 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 118.708 -1.197 . . . . 0.0 110.805 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.477 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 15.7 t80 -90.69 164.25 14.21 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.848 -1.069 . . . . 0.0 108.214 175.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -44.88 -38.79 4.86 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -174.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.41 HD22 ' N ' ' A' ' 34' ' ' LEU . 3.4 mm? -114.48 11.87 17.25 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.932 0.715 . . . . 0.0 112.932 -173.22 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.472 ' HA3' ' O ' ' A' ' 14' ' ' TRP . . . 164.25 -163.23 35.92 Favored Glycine 0 C--O 1.223 -0.555 0 C-N-CA 119.194 -1.479 . . . . 0.0 113.329 178.273 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 63.8 m -95.21 117.8 30.88 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.076 0.465 . . . . 0.0 110.808 -176.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.547 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 32.4 t -87.15 105.97 17.56 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.721 -178.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.626 ' HB3' ' CG ' ' A' ' 26' ' ' TYR . 80.2 m -90.48 111.41 22.67 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.112 177.478 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.542 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 0.5 OUTLIER -110.0 113.94 56.61 Favored Pre-proline 0 N--CA 1.447 -0.619 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 -171.779 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.661 ' HD2' ' CA ' ' A' ' 11' ' ' GLY . 90.0 Cg_endo -90.71 -150.86 0.04 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.282 0 C-N-CA 122.995 2.463 . . . . 0.0 109.297 159.071 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -130.41 70.39 1.45 Allowed 'General case' 0 C--N 1.313 -0.992 0 CA-C-O 120.769 0.318 . . . . 0.0 110.42 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 35.9 t70 . . . . . 0 C--O 1.247 0.959 0 CA-C-O 118.706 -0.664 . . . . 0.0 110.3 178.029 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.499 ' HB ' ' CE2' ' A' ' 13' ' ' TYR . 30.3 p . . . . . 0 C--O 1.233 0.194 0 CA-C-O 121.457 0.646 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -80.99 130.23 34.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.639 -174.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.409 ' SG ' ' HB3' ' A' ' 13' ' ' TYR . 14.1 p -129.21 154.36 46.85 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.578 176.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 p -137.12 126.22 24.48 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.42 0.629 . . . . 0.0 112.199 -177.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 58.8 m -111.47 96.63 6.22 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.113 -0.949 . . . . 0.0 108.878 174.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.66 -113.75 5.24 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.609 -177.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.3 p-10 -95.51 -10.8 28.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.005 0.431 . . . . 0.0 110.168 177.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.41 ' HA ' ' O ' ' A' ' 40' ' ' PRO . 19.3 m -88.87 110.07 20.75 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.884 -176.324 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.541 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 17.3 ptpt -122.1 129.41 52.34 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.984 0.421 . . . . 0.0 111.126 -177.028 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.427 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -157.48 -140.02 2.84 Favored Glycine 0 N--CA 1.441 -0.974 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.304 -177.242 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.2 mm -127.78 136.79 59.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 -173.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.605 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 7.0 p90 -96.52 132.05 42.51 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 119.771 -0.772 . . . . 0.0 109.459 173.388 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.723 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 46.5 m95 -107.24 145.48 32.62 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.274 -175.627 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -77.75 108.51 11.02 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.785 0.326 . . . . 0.0 111.123 -173.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 51.99 60.24 3.98 Favored 'General case' 0 C--O 1.246 0.918 0 CA-C-N 115.085 -0.961 . . . . 0.0 112.012 175.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.723 ' HD2' ' HB3' ' A' ' 14' ' ' TRP . 65.4 mtt85 -130.75 89.1 44.32 Favored Pre-proline 0 C--N 1.343 0.304 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.186 -178.42 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_exo -72.26 3.08 4.35 Favored 'Trans proline' 0 C--O 1.248 1.02 0 C-N-CA 123.071 2.514 . . . . 0.0 111.606 176.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.7 m -107.2 81.95 1.61 Allowed 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.279 173.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.459 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 49.6 t -78.66 117.04 64.22 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.445 -179.29 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 20' ' ' CYS . 19.8 Cg_exo -64.47 124.37 13.2 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 123.008 2.472 . . . . 0.0 112.762 -174.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.57 25.39 0.33 Allowed 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.678 0.752 . . . . 0.0 111.097 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.4 ' H ' ' C ' ' A' ' 21' ' ' PRO . 10.4 t70 -94.61 -26.15 16.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.91 -177.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.511 ' HB2' ' CE2' ' A' ' 26' ' ' TYR . 22.5 mmm180 -99.79 17.09 21.6 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.009 -0.541 . . . . 0.0 112.209 -170.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 56.08 23.87 41.09 Favored Glycine 0 C--O 1.251 1.175 0 C-N-CA 121.243 -0.503 . . . . 0.0 113.613 175.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.511 ' CE2' ' HB2' ' A' ' 24' ' ' ARG . 43.0 m-85 -47.99 127.17 11.83 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 124.273 0.631 . . . . 0.0 111.416 179.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.478 ' H ' ' HA ' ' A' ' 40' ' ' PRO . 27.2 m -88.83 -37.73 15.15 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.383 -177.322 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -139.92 174.79 22.22 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.057 178.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.2 t -141.74 111.41 6.59 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.344 0.592 . . . . 0.0 109.773 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 56.5 m -105.25 144.57 31.86 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.55 -178.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 31' ' ' ARG . 8.7 tpt180 -80.54 114.75 19.66 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.056 -0.657 . . . . 0.0 110.295 176.639 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -98.87 150.46 21.87 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 174.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -59.61 -15.06 16.21 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -173.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.414 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 2.7 mm? -111.69 -9.25 14.14 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.436 ' HA3' ' O ' ' A' ' 14' ' ' TRP . . . 166.11 -145.91 10.5 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 119.593 -1.289 . . . . 0.0 113.941 179.094 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.411 ' O ' ' HA ' ' A' ' 13' ' ' TYR . 2.8 m -100.13 109.75 22.03 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.742 0.306 . . . . 0.0 110.95 -172.376 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.605 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 19.9 t -84.1 90.81 7.53 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.267 0.556 . . . . 0.0 109.844 178.614 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.464 ' HB3' ' CG ' ' A' ' 26' ' ' TYR . 97.2 m -87.33 115.74 24.95 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.641 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.427 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 11.5 p -123.01 112.59 30.24 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 112.864 0.69 . . . . 0.0 112.864 -170.5 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.541 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 31.5 Cg_endo -94.75 -83.51 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 122.736 2.291 . . . . 0.0 111.874 165.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.502 ' HA ' ' HG2' ' A' ' 10' ' ' LYS . . . 169.34 35.71 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 124.268 1.027 . . . . 0.0 108.519 -176.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.7 t70 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.58 -0.724 . . . . 0.0 110.419 -169.516 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.601 ' HB ' ' CE2' ' A' ' 13' ' ' TYR . 14.7 p . . . . . 0 N--CA 1.451 -0.423 0 CA-C-O 121.344 0.593 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.93 141.64 58.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.614 -175.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 41.3 t -147.0 157.31 43.58 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.383 -179.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 p -142.09 136.21 29.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.83 0.348 . . . . 0.0 111.556 -174.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 92.3 m -137.16 96.68 3.33 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.313 176.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.2 -112.02 3.73 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.877 -0.678 . . . . 0.0 111.834 178.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.8 p-10 -94.69 -13.07 26.14 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.18 0.514 . . . . 0.0 109.862 176.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.9 m -84.88 134.36 34.28 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.612 -173.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.544 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 19.7 ptpt -127.27 130.62 49.91 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.686 178.424 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.453 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -164.86 -141.52 3.15 Favored Glycine 0 N--CA 1.443 -0.851 0 C-N-CA 119.652 -1.261 . . . . 0.0 113.299 -176.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.4 mm -129.73 139.16 52.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -172.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.679 ' HE1' ' HB2' ' A' ' 34' ' ' LEU . 13.1 p90 -99.0 135.04 40.97 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 119.904 -0.718 . . . . 0.0 109.678 175.561 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 11.6 m95 -100.38 148.93 24.17 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.091 -0.959 . . . . 0.0 108.822 -176.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -79.3 84.33 5.24 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.271 0.557 . . . . 0.0 111.388 -174.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.714 ' H ' ' HA3' ' A' ' 35' ' ' GLY . 58.2 m-85 56.83 81.32 0.14 Allowed 'General case' 0 C--O 1.248 1.012 0 CA-C-N 114.714 -1.13 . . . . 0.0 111.887 178.39 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.426 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 12.3 mtp180 -144.83 93.76 5.56 Favored Pre-proline 0 N--CA 1.451 -0.391 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.232 179.283 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 17' ' ' ARG . 20.1 Cg_endo -61.84 -12.82 27.36 Favored 'Trans proline' 0 C--O 1.251 1.169 0 C-N-CA 122.417 2.078 . . . . 0.0 111.461 174.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.6 m -99.96 65.99 1.33 Allowed 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 114.781 -1.099 . . . . 0.0 109.39 178.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.419 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 47.9 t -92.51 117.2 67.52 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.643 -179.346 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 20' ' ' CYS . 15.9 Cg_exo -64.79 105.12 0.61 Allowed 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 123.127 2.551 . . . . 0.0 112.112 -174.321 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.426 ' HA ' ' HD2' ' A' ' 26' ' ' TYR . 5.2 p -77.96 8.98 3.98 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -173.548 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -76.67 -4.78 44.96 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.33 -176.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -90.37 2.57 55.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.095 173.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.67 41.59 23.77 Favored Glycine 0 C--O 1.247 0.948 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.349 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.426 ' HD2' ' HA ' ' A' ' 22' ' ' THR . 31.2 m-85 -68.57 121.47 16.48 Favored 'General case' 0 C--N 1.346 0.442 0 O-C-N 124.039 0.494 . . . . 0.0 110.859 -177.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 85.0 m -93.13 -45.2 7.99 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.91 -177.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -112.31 137.61 14.38 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.392 -177.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.6 t -124.79 106.66 10.21 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 177.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 20.6 m -120.29 168.53 11.16 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.044 -178.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.5 ttt180 -96.75 132.82 42.06 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 119.707 -0.797 . . . . 0.0 109.456 169.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -106.27 160.49 15.32 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 171.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.538 ' HB3' HD22 ' A' ' 34' ' ' LEU . 48.1 t80 -51.11 -32.4 22.54 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 118.113 0.415 . . . . 0.0 111.768 -176.251 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.679 ' HB2' ' HE1' ' A' ' 13' ' ' TYR . 2.3 mm? -106.32 1.99 26.29 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -174.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.714 ' HA3' ' H ' ' A' ' 16' ' ' TYR . . . 162.02 -138.42 5.39 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 118.969 -1.586 . . . . 0.0 114.805 175.609 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 47.6 m -104.31 114.86 29.38 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 122.838 0.455 . . . . 0.0 110.893 -172.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 43.3 t -83.73 106.96 15.85 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.609 -178.288 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 74.7 m -103.97 109.68 21.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.092 0.472 . . . . 0.0 109.814 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.453 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 21.6 p -120.19 112.42 34.63 Favored Pre-proline 0 C--N 1.322 -0.604 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -173.225 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.544 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 36.7 Cg_endo -91.8 -87.4 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 122.395 2.063 . . . . 0.0 111.715 168.058 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -179.4 34.81 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 -176.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.1 t70 . . . . . 0 C--O 1.252 1.202 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.235 -173.931 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.579 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 7.7 p . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 121.368 0.604 . . . . 0.0 110.636 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.425 ' HA ' ' O ' ' A' ' 11' ' ' GLY . . . -77.9 141.7 38.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.852 -173.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.514 ' SG ' ' HB3' ' A' ' 13' ' ' TYR . 26.8 p -140.57 166.19 25.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.498 177.147 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.3 m -130.07 140.12 50.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.005 0.431 . . . . 0.0 111.916 -176.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 86.6 m -123.07 79.48 1.67 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.59 173.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.5 -94.48 0.23 Allowed Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.685 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -95.4 -27.6 15.35 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.951 0.405 . . . . 0.0 110.536 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.9 m -84.28 141.04 31.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.387 -177.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.439 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 50.3 mtmt -136.49 134.08 37.23 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -179.424 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.642 ' HA3' ' HD2' ' A' ' 40' ' ' PRO . . . -167.86 -136.67 2.09 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.487 -0.864 . . . . 0.0 113.004 -178.197 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.8 mm -128.25 137.52 57.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 122.439 0.296 . . . . 0.0 110.331 -171.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.684 ' HE2' ' HB2' ' A' ' 34' ' ' LEU . 8.4 p90 -99.91 138.6 36.76 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.314 0.578 . . . . 0.0 110.055 176.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.441 ' O ' ' HA3' ' A' ' 35' ' ' GLY . 33.6 m95 -102.27 156.46 17.56 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.821 -178.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -90.31 111.82 23.16 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.811 -179.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.434 ' H ' ' HA3' ' A' ' 35' ' ' GLY . 66.8 m-85 49.35 80.27 0.07 Allowed 'General case' 0 C--O 1.253 1.248 0 O-C-N 124.208 0.942 . . . . 0.0 113.131 176.343 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -126.1 113.26 24.03 Favored Pre-proline 0 C--N 1.345 0.37 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.595 177.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -60.14 -12.57 20.01 Favored 'Trans proline' 0 C--O 1.251 1.137 0 C-N-CA 123.238 2.625 . . . . 0.0 112.861 -177.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.6 p -148.67 149.63 31.82 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.548 177.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.446 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 51.7 t -82.96 115.49 59.07 Favored Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 178.441 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 20' ' ' CYS . 20.8 Cg_exo -64.91 131.61 29.57 Favored 'Trans proline' 0 N--CA 1.464 -0.237 0 C-N-CA 122.784 2.323 . . . . 0.0 112.014 -177.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.9 m -79.29 55.72 1.94 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.301 0.572 . . . . 0.0 110.368 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -86.22 -67.48 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.782 -176.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.402 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 79.2 mtt180 -88.21 21.2 2.89 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.262 179.335 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 55.73 29.8 55.18 Favored Glycine 0 C--O 1.248 0.986 0 C-N-CA 120.414 -0.898 . . . . 0.0 111.9 -177.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.75 ' HD1' ' HD3' ' A' ' 40' ' ' PRO . 57.6 m-85 -38.33 138.9 0.42 Allowed 'General case' 0 C--N 1.348 0.54 0 O-C-N 125.024 1.073 . . . . 0.0 111.996 176.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.1 m -97.53 -49.29 4.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.967 -177.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.92 140.84 15.26 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 121.009 -0.615 . . . . 0.0 111.872 179.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.5 m -126.12 92.55 3.6 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.927 0.394 . . . . 0.0 110.48 178.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.0 m -106.04 163.44 12.76 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.4 ttt180 -96.03 134.54 38.94 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.516 -0.874 . . . . 0.0 109.748 171.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.582 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 13.2 t80 -107.51 164.1 12.5 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 173.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.474 ' HB2' HD22 ' A' ' 34' ' ' LEU . 97.6 m-85 -50.27 -35.79 28.67 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -175.594 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.684 ' HB2' ' HE2' ' A' ' 13' ' ' TYR . 2.4 mm? -100.47 -4.8 28.09 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -173.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.441 ' HA3' ' O ' ' A' ' 14' ' ' TRP . . . 163.96 -130.69 2.26 Favored Glycine 0 C--O 1.223 -0.584 0 C-N-CA 119.246 -1.454 . . . . 0.0 113.622 179.363 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.3 m -111.01 112.42 24.22 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.797 0.332 . . . . 0.0 111.32 -170.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.582 ' HB2' ' HB2' ' A' ' 32' ' ' TYR . 37.9 t -84.89 98.35 10.28 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.19 0.519 . . . . 0.0 109.891 -179.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.583 ' HB3' ' CG ' ' A' ' 26' ' ' TYR . 84.5 m -97.53 114.93 26.92 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.778 -178.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.469 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 20.5 p -120.3 116.07 32.5 Favored Pre-proline 0 C--N 1.319 -0.76 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -170.316 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.75 ' HD3' ' HD1' ' A' ' 26' ' ' TYR . 53.6 Cg_endo -84.25 -98.33 0.0 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.065 0 C-N-CA 121.845 1.697 . . . . 0.0 110.82 165.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -158.26 29.73 0.25 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.322 -0.236 . . . . 0.0 111.209 177.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.8 t70 . . . . . 0 C--O 1.246 0.889 0 CA-C-O 118.043 -0.979 . . . . 0.0 110.909 -175.48 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.3 p . . . . . 0 C--O 1.236 0.383 0 CA-C-O 121.344 0.592 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.54 ' HA ' ' O ' ' A' ' 11' ' ' GLY . . . -84.19 129.72 34.88 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.575 -174.868 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 14.1 p -120.34 143.9 48.14 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.138 174.703 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.4 m -119.5 127.79 53.36 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.418 0.628 . . . . 0.0 111.665 -176.226 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.405 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 62.6 m -116.31 80.12 1.41 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.092 -0.958 . . . . 0.0 108.977 175.808 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.75 -101.07 0.67 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.727 -176.897 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -91.07 -25.09 19.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.148 0.499 . . . . 0.0 110.282 178.237 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.405 ' HB2' ' HB2' ' A' ' 6' ' ' CYS . 14.7 m -78.77 134.41 37.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.412 -174.471 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -132.73 125.62 30.61 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 -178.547 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.564 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -158.22 -149.0 5.34 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 119.56 -1.305 . . . . 0.0 113.53 -177.477 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.0 mm -122.24 130.68 74.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.769 -0.216 . . . . 0.0 110.49 -172.106 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.534 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 8.7 p90 -95.97 139.57 31.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.351 0.596 . . . . 0.0 109.876 177.403 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.494 ' O ' ' HA3' ' A' ' 35' ' ' GLY . 28.7 m95 -107.62 149.2 28.35 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.179 -0.918 . . . . 0.0 108.831 -179.061 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -78.74 92.56 4.81 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.265 0.555 . . . . 0.0 111.473 -174.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.732 ' H ' ' HA3' ' A' ' 35' ' ' GLY . 61.6 m-85 58.52 73.75 0.46 Allowed 'General case' 0 C--O 1.251 1.17 0 CA-C-N 114.85 -1.068 . . . . 0.0 111.918 175.87 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 17' ' ' ARG . 14.5 mmt180 -113.84 108.42 51.26 Favored Pre-proline 0 C--N 1.344 0.368 0 CA-C-N 114.803 -1.089 . . . . 0.0 110.434 178.268 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -64.17 -11.32 27.13 Favored 'Trans proline' 0 C--O 1.248 0.99 0 C-N-CA 122.87 2.38 . . . . 0.0 112.192 179.285 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.1 m -131.7 121.72 24.72 Favored 'General case' 0 N--CA 1.448 -0.55 0 O-C-N 124.167 0.917 . . . . 0.0 110.108 -177.699 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.438 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 53.4 t -101.21 123.03 46.32 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.82 178.683 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 20' ' ' CYS . 11.6 Cg_exo -69.69 84.72 0.63 Allowed 'Trans proline' 0 N--CA 1.464 -0.226 0 C-N-CA 122.784 2.323 . . . . 0.0 111.707 179.496 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.7 t -76.79 -14.13 59.95 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.423 0.63 . . . . 0.0 109.628 -174.481 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -77.68 -10.5 59.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.819 -1.082 . . . . 0.0 109.57 177.188 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.4 tpt180 -78.52 -10.6 59.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.835 177.794 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.412 ' O ' ' HB3' ' A' ' 40' ' ' PRO . . . 104.7 30.89 4.72 Favored Glycine 0 C--O 1.246 0.906 0 C-N-CA 120.845 -0.693 . . . . 0.0 113.006 177.186 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.526 ' CD2' ' HB3' ' A' ' 38' ' ' CYS . 31.7 m-85 -90.57 137.66 32.18 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-O 120.868 0.366 . . . . 0.0 110.095 -179.742 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.1 m -91.08 -28.1 18.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.736 -174.455 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -155.42 163.92 31.79 Favored Glycine 0 N--CA 1.442 -0.924 0 C-N-CA 120.965 -0.636 . . . . 0.0 111.944 177.907 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.8 t -129.05 125.61 37.64 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 176.75 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 31.6 m -116.87 156.57 27.1 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.555 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.429 ' C ' ' HD3' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -86.96 128.6 35.07 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 176.565 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.569 ' HD2' ' H ' ' A' ' 34' ' ' LEU . 22.8 t80 -115.92 150.04 37.75 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.9 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -52.51 -39.1 60.93 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.922 0.391 . . . . 0.0 111.193 -177.36 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.569 ' H ' ' HD2' ' A' ' 32' ' ' TYR . 2.4 mm? -94.82 -0.53 54.05 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -176.538 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.732 ' HA3' ' H ' ' A' ' 16' ' ' TYR . . . 160.82 -136.74 4.61 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 119.381 -1.39 . . . . 0.0 114.564 174.406 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.4 m -112.76 118.58 35.37 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 120.715 0.293 . . . . 0.0 110.399 -173.761 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.534 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 23.3 t -86.23 104.67 15.99 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 120.976 0.417 . . . . 0.0 110.319 -178.842 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.526 ' HB3' ' CD2' ' A' ' 26' ' ' TYR . 84.3 m -97.58 109.16 21.97 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 177.006 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.564 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 0.8 OUTLIER -131.93 128.23 21.45 Favored Pre-proline 0 N--CA 1.446 -0.65 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -168.004 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.412 ' HB3' ' O ' ' A' ' 25' ' ' GLY . 27.1 Cg_endo -99.39 -85.84 0.0 OUTLIER 'Trans proline' 0 N--CA 1.443 -1.456 0 C-N-CA 123.57 2.846 . . . . 0.0 111.862 164.858 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -175.17 73.96 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.849 -1.068 . . . . 0.0 108.895 -174.753 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.4 t70 . . . . . 0 C--O 1.247 0.934 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.342 -178.211 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.4 p . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 121.332 0.587 . . . . 0.0 110.698 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.88 151.23 31.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.408 -175.596 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 49.4 t -149.73 148.75 29.61 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.797 178.72 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.4 m -125.92 123.83 39.47 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.49 0.662 . . . . 0.0 111.5 -179.317 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.438 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 71.5 m -112.8 73.53 0.82 Allowed 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 115.145 -0.934 . . . . 0.0 108.52 173.208 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.62 -112.57 5.11 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.574 -175.216 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -81.17 -23.04 38.48 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.014 0.435 . . . . 0.0 110.235 179.165 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.438 ' HB2' ' HB2' ' A' ' 6' ' ' CYS . 13.3 m -84.23 105.14 14.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.285 -178.583 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -116.76 136.6 52.83 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 122.262 -0.274 . . . . 0.0 110.618 -178.833 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.457 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -173.31 -137.88 2.5 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.654 -177.628 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.5 mm -122.01 133.39 68.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.677 0.275 . . . . 0.0 110.686 -171.609 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.637 ' HE2' ' HB2' ' A' ' 34' ' ' LEU . 7.7 p90 -97.45 137.28 36.66 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 120.059 -0.657 . . . . 0.0 109.873 177.098 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.436 ' O ' ' HA3' ' A' ' 35' ' ' GLY . 7.6 m95 -100.52 159.1 15.42 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 -179.585 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -82.2 -159.34 0.3 Allowed 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 177.353 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -60.02 87.69 0.01 OUTLIER 'General case' 0 C--O 1.25 1.088 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 -177.925 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 62.2 mtp85 -146.04 98.9 4.35 Favored Pre-proline 0 C--N 1.343 0.309 0 CA-C-N 114.33 -1.305 . . . . 0.0 108.202 174.216 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_endo -61.19 -14.12 32.05 Favored 'Trans proline' 0 C--O 1.25 1.096 0 C-N-CA 122.993 2.462 . . . . 0.0 113.692 -172.559 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.1 m -114.85 88.98 2.99 Favored 'General case' 0 N--CA 1.451 -0.419 0 O-C-N 123.57 0.544 . . . . 0.0 111.308 -178.021 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.433 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 40.4 t -86.96 135.62 35.05 Favored Pre-proline 0 C--N 1.325 -0.464 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 172.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 20' ' ' CYS . 7.0 Cg_exo -73.54 79.64 2.14 Favored 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.812 2.342 . . . . 0.0 111.104 178.543 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.705 ' HA ' ' HD2' ' A' ' 26' ' ' TYR . 3.2 p -78.61 14.78 1.18 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -172.261 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -100.35 21.85 12.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.422 0.629 . . . . 0.0 109.586 176.283 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 53.8 mtp85 -112.87 37.55 3.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.926 -178.231 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.42 ' C ' ' HB3' ' A' ' 40' ' ' PRO . . . 87.23 -16.46 48.25 Favored Glycine 0 C--O 1.249 1.081 0 C-N-CA 120.877 -0.677 . . . . 0.0 112.626 177.859 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.705 ' HD2' ' HA ' ' A' ' 22' ' ' THR . 23.9 m-85 -50.32 119.68 3.91 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 124.555 0.797 . . . . 0.0 111.07 -177.513 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.0 m -95.09 -31.36 13.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.594 -176.767 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -127.96 146.43 16.67 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.801 179.15 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.456 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 7.6 t -129.22 92.21 3.33 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 175.247 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.3 m -103.71 159.69 15.41 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.519 -173.595 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.461 ' HD2' ' O ' ' A' ' 35' ' ' GLY . 10.2 tpt180 -85.52 131.81 34.3 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 174.884 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.544 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 8.4 t80 -117.83 159.81 22.45 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 175.161 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.428 ' HB2' HD22 ' A' ' 34' ' ' LEU . 74.2 m-85 -53.9 -28.97 39.78 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 112.268 0.469 . . . . 0.0 112.268 -175.592 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.637 ' HB2' ' HE2' ' A' ' 13' ' ' TYR . 2.1 mm? -109.28 -3.68 17.01 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.2 0.445 . . . . 0.0 112.2 -176.024 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.461 ' O ' ' HD2' ' A' ' 31' ' ' ARG . . . 168.87 -131.37 2.28 Favored Glycine 0 C--O 1.227 -0.338 0 C-N-CA 119.411 -1.376 . . . . 0.0 113.632 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 87.8 m -127.86 123.49 35.21 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.051 0.453 . . . . 0.0 111.364 -174.532 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.591 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 99.7 m -79.38 108.77 13.15 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.974 179.53 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 55.9 m -96.62 97.95 9.8 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 173.959 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.457 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 38.7 p -121.14 112.75 33.02 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.78 -167.283 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.42 ' HB3' ' C ' ' A' ' 25' ' ' GLY . 33.1 Cg_endo -96.62 -86.71 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.111 0 C-N-CA 122.945 2.43 . . . . 0.0 111.83 169.034 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -169.56 32.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.729 -1.212 . . . . 0.0 107.729 175.872 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.4 t70 . . . . . 0 C--O 1.252 1.231 0 CA-C-N 114.72 -1.127 . . . . 0.0 109.578 -169.904 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.4 p . . . . . 0 C--O 1.234 0.245 0 CA-C-O 121.138 0.494 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.98 148.02 52.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.199 -179.194 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.543 ' HB2' ' HB3' ' A' ' 13' ' ' TYR . 49.4 t -141.36 154.59 45.74 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.212 -179.4 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.9 m -131.28 134.06 46.01 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.134 0.492 . . . . 0.0 111.058 -178.825 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.466 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 68.8 m -120.96 78.0 1.35 Allowed 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 173.276 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.95 -114.68 7.06 Favored Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 111.398 -0.681 . . . . 0.0 111.398 -173.584 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -81.04 -20.78 40.93 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.461 0.172 . . . . 0.0 110.984 178.724 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.466 ' HB2' ' HB2' ' A' ' 6' ' ' CYS . 19.8 m -78.69 122.43 25.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.953 0.406 . . . . 0.0 109.994 -179.139 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.543 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 46.0 mmtm -115.67 142.25 46.99 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -178.369 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.481 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -174.92 -148.0 6.47 Favored Glycine 0 N--CA 1.448 -0.567 0 C-N-CA 120.069 -1.062 . . . . 0.0 112.832 179.792 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.9 mm -127.92 141.7 45.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 -176.113 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.543 ' HB3' ' HB2' ' A' ' 4' ' ' CYS . 0.6 OUTLIER -105.28 128.97 53.71 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 121.655 0.74 . . . . 0.0 110.503 176.975 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.551 ' O ' ' HA3' ' A' ' 35' ' ' GLY . 32.4 m95 -101.62 150.01 23.53 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 114.48 -1.236 . . . . 0.0 108.871 -178.534 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.516 ' HA ' ' O ' ' A' ' 34' ' ' LEU . 89.0 m-85 -79.4 100.69 7.75 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.985 0.422 . . . . 0.0 111.242 -176.439 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.569 ' H ' ' HA3' ' A' ' 35' ' ' GLY . 83.5 m-85 53.66 80.94 0.1 Allowed 'General case' 0 C--O 1.249 1.07 0 CA-C-N 114.694 -1.139 . . . . 0.0 112.732 175.606 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 17' ' ' ARG . 9.7 mmt180 -115.01 112.06 44.76 Favored Pre-proline 0 N--CA 1.452 -0.337 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.536 175.478 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -57.75 -17.84 31.15 Favored 'Trans proline' 0 C--O 1.249 1.07 0 C-N-CA 123.144 2.563 . . . . 0.0 112.49 -176.57 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.1 p -152.79 138.28 17.68 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.762 177.909 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.9 t -92.22 122.13 65.35 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.113 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -70.16 125.07 11.53 Favored 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 122.554 2.17 . . . . 0.0 111.328 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.22 68.9 4.34 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.265 0.555 . . . . 0.0 111.397 -175.282 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -89.64 -56.89 3.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.482 177.657 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -89.91 23.51 2.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.934 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 53.32 28.63 35.78 Favored Glycine 0 C--O 1.245 0.805 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.566 -179.743 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.646 ' HD1' ' HD3' ' A' ' 40' ' ' PRO . 64.3 m-85 -32.55 128.09 0.25 Allowed 'General case' 0 C--N 1.352 0.702 0 O-C-N 125.153 1.149 . . . . 0.0 112.704 179.607 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.441 ' OG1' ' HA ' ' A' ' 40' ' ' PRO . 6.3 m -82.98 -42.7 17.27 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.241 -175.35 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -129.66 162.29 22.84 Favored Glycine 0 N--CA 1.443 -0.864 0 CA-C-N 115.617 -0.719 . . . . 0.0 112.183 179.016 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.9 m -135.07 81.35 1.89 Allowed 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 177.565 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.605 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 35.0 m -76.32 136.08 39.58 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.705 -174.568 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.439 ' HD2' ' O ' ' A' ' 35' ' ' GLY . 1.0 OUTLIER -79.31 97.25 6.22 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 176.883 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.552 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 4.5 t80 -79.57 163.1 24.92 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 176.87 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.565 ' HB3' HD22 ' A' ' 34' ' ' LEU . 29.1 t80 -51.7 -35.55 43.27 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.623 0.249 . . . . 0.0 111.489 -174.49 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.565 HD22 ' HB3' ' A' ' 33' ' ' PHE . 2.8 mm? -115.28 16.74 16.8 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -177.045 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.569 ' HA3' ' H ' ' A' ' 16' ' ' TYR . . . 158.84 -143.44 9.27 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 118.304 -1.903 . . . . 0.0 115.219 173.845 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.42 ' O ' ' HA ' ' A' ' 13' ' ' TYR . 5.0 m -115.26 112.65 22.76 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.35 -0.425 . . . . 0.0 111.407 -170.126 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.605 ' HB2' ' HB2' ' A' ' 30' ' ' CYS . 66.6 m -79.73 93.04 5.49 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.35 174.54 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.432 ' HB3' ' CD1' ' A' ' 26' ' ' TYR . 91.3 m -79.36 105.47 10.7 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 175.767 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.481 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 28.0 p -127.07 111.42 21.72 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -170.697 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.646 ' HD3' ' HD1' ' A' ' 26' ' ' TYR . 20.1 Cg_endo -93.52 -83.9 0.0 OUTLIER 'Trans proline' 0 N--CA 1.445 -1.367 0 C-N-CA 122.528 2.152 . . . . 0.0 110.223 161.318 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.414 ' HA ' ' H ' ' A' ' 10' ' ' LYS . . . -161.88 27.33 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.606 172.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.9 t70 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.384 -0.817 . . . . 0.0 110.618 -171.602 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.236 0.392 0 CA-C-O 121.354 0.597 . . . . 0.0 110.662 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.423 ' HA ' ' O ' ' A' ' 11' ' ' GLY . . . -74.16 133.52 42.77 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.588 -175.133 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 46.9 t -134.01 151.52 51.48 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.303 176.924 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.5 m -131.02 136.09 48.17 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.405 0.621 . . . . 0.0 111.478 -178.039 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.7 m -118.32 88.53 2.94 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.99 -1.005 . . . . 0.0 108.393 171.674 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.36 -109.31 2.79 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 -173.543 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 28.1 p-10 -103.21 -5.41 23.18 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.801 0.334 . . . . 0.0 110.192 176.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.7 t -82.9 127.33 33.4 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 178.409 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -133.31 144.2 49.52 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.157 -173.587 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.512 ' HA2' ' HB3' ' A' ' 42' ' ' ASP . . . -176.75 -134.92 2.06 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.366 -179.844 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 47.1 mm -126.75 134.99 64.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 -173.397 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.447 ' HE2' ' HB2' ' A' ' 34' ' ' LEU . 25.4 p90 -101.27 143.8 30.89 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.179 -0.608 . . . . 0.0 109.972 176.115 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.568 ' O ' ' HA3' ' A' ' 35' ' ' GLY . 30.4 m95 -109.04 137.52 46.82 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.088 -173.681 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.522 ' O ' ' HG2' ' A' ' 17' ' ' ARG . 99.2 m-85 -78.56 122.19 25.59 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.462 -174.495 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . 0.452 ' O ' ' HD3' ' A' ' 18' ' ' PRO . 30.8 p90 48.27 20.73 0.3 Allowed 'General case' 0 C--O 1.25 1.086 0 C-N-CA 124.53 1.132 . . . . 0.0 113.19 -177.377 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.524 ' HB2' ' CB ' ' A' ' 14' ' ' TRP . 22.8 mmm180 -99.92 103.37 21.8 Favored Pre-proline 0 C--N 1.343 0.314 0 O-C-N 123.505 0.503 . . . . 0.0 110.084 179.902 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.452 ' HD3' ' O ' ' A' ' 16' ' ' TYR . 88.0 Cg_endo -89.99 39.48 0.4 Allowed 'Trans proline' 0 C--O 1.249 1.071 0 C-N-CA 123.068 2.512 . . . . 0.0 112.617 -177.35 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.8 t -155.04 119.72 4.8 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.769 -178.723 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 94.3 m -92.93 121.34 66.02 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.303 179.79 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.53 118.98 5.67 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 123.085 2.523 . . . . 0.0 112.237 178.029 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.9 m -78.34 2.55 18.21 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.361 0.6 . . . . 0.0 111.08 -176.416 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -79.73 -44.65 20.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.77 -177.962 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.4 ttp85 -97.86 39.29 1.23 Allowed 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 121.14 0.495 . . . . 0.0 110.82 -176.44 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.451 ' O ' ' HB3' ' A' ' 40' ' ' PRO . . . 46.68 36.46 8.22 Favored Glycine 0 C--O 1.249 1.072 0 CA-C-N 114.84 -1.073 . . . . 0.0 115.427 167.403 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.535 ' HD1' ' HD3' ' A' ' 40' ' ' PRO . 57.9 m-85 -61.88 119.44 8.81 Favored 'General case' 0 C--N 1.344 0.339 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 174.481 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.5 m -92.55 -39.26 11.46 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.3 -170.379 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -113.22 153.91 17.27 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.938 -0.648 . . . . 0.0 111.856 -179.065 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.9 t -140.21 105.19 4.98 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.171 0.51 . . . . 0.0 109.73 179.366 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 33.6 m -115.1 157.31 23.74 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.664 -178.518 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -92.11 124.7 36.39 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.366 0.603 . . . . 0.0 110.005 175.83 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.578 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 7.3 t80 -110.65 155.05 22.94 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 176.038 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -46.96 -41.22 15.8 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.773 0.32 . . . . 0.0 111.504 -177.825 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.447 ' HB2' ' HE2' ' A' ' 13' ' ' TYR . 2.5 mm? -89.48 -15.6 32.71 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -174.362 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.568 ' HA3' ' O ' ' A' ' 14' ' ' TRP . . . 170.84 -138.32 4.88 Favored Glycine 0 C--O 1.223 -0.584 0 C-N-CA 119.715 -1.231 . . . . 0.0 113.333 -178.747 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.1 m -117.7 123.81 46.98 Favored 'General case' 0 C--N 1.317 -0.817 0 O-C-N 122.422 -0.458 . . . . 0.0 111.144 -175.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.578 ' SG ' ' HB2' ' A' ' 32' ' ' TYR . 80.5 m -81.44 107.13 13.96 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.064 178.745 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 37.3 m -98.87 105.34 17.47 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 176.836 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.423 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 39.7 p -119.51 116.17 33.59 Favored Pre-proline 0 C--N 1.323 -0.585 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -169.804 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.535 ' HD3' ' HD1' ' A' ' 26' ' ' TYR . 33.0 Cg_endo -96.57 -90.1 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 122.581 2.187 . . . . 0.0 111.028 163.385 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -154.6 37.95 0.42 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 173.933 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.512 ' HB3' ' HA2' ' A' ' 11' ' ' GLY . 35.3 t70 . . . . . 0 C--O 1.253 1.238 0 CA-C-N 114.791 -1.095 . . . . 0.0 110.426 -172.375 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 18.6 p . . . . . 0 N--CA 1.451 -0.413 0 CA-C-O 121.248 0.547 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.39 135.8 44.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.177 -177.918 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 42.0 t -136.0 152.84 51.34 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.031 -179.066 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.0 m -129.24 134.15 47.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.025 0.441 . . . . 0.0 110.926 -178.302 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 87.7 m -123.99 90.5 3.28 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.143 178.213 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.27 -96.12 0.11 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 121.062 -0.589 . . . . 0.0 112.501 179.207 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -91.61 -36.41 13.68 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.08 0.467 . . . . 0.0 110.56 179.477 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.0 m -83.52 144.02 29.8 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.373 -172.345 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.567 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -133.48 135.8 44.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.223 178.046 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.464 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -166.42 -137.71 2.28 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.16 -1.019 . . . . 0.0 112.844 -178.175 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 51.1 mm -127.39 137.2 58.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 -173.214 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.523 ' HE2' ' HB2' ' A' ' 34' ' ' LEU . 10.0 p90 -99.71 138.04 37.35 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 119.966 -0.694 . . . . 0.0 110.038 177.098 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 34.2 m95 -107.71 144.6 34.6 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.637 -176.091 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -79.36 122.14 26.01 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.926 0.393 . . . . 0.0 111.769 -173.728 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 49.93 32.98 6.04 Favored 'General case' 0 C--O 1.248 1.002 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 170.138 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.468 ' HD3' ' O ' ' A' ' 19' ' ' SER . 7.0 ptp180 -108.6 111.8 61.0 Favored Pre-proline 0 N--CA 1.454 -0.274 0 C-N-CA 119.891 -0.723 . . . . 0.0 110.157 169.058 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -78.01 9.0 3.2 Favored 'Trans proline' 0 C--O 1.251 1.137 0 C-N-CA 122.703 2.269 . . . . 0.0 112.09 178.21 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.468 ' O ' ' HD3' ' A' ' 17' ' ' ARG . 43.3 t -123.11 111.34 16.42 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.506 177.92 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.1 t -85.77 128.83 56.96 Favored Pre-proline 0 C--N 1.32 -0.685 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.647 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.441 ' HD2' ' SG ' ' A' ' 38' ' ' CYS . 59.6 Cg_endo -71.88 -177.95 2.86 Favored 'Trans proline' 0 N--CA 1.463 -0.283 0 C-N-CA 122.622 2.215 . . . . 0.0 111.828 178.495 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.6 p -131.98 34.47 3.83 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.115 0.484 . . . . 0.0 110.664 -179.4 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -77.93 -28.38 49.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.705 -173.226 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -110.11 9.62 24.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.748 -0.206 . . . . 0.0 111.551 -179.143 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.96 55.3 30.5 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.29 -0.957 . . . . 0.0 110.977 -172.279 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.477 ' CD1' ' HB3' ' A' ' 38' ' ' CYS . 87.6 m-85 -63.16 142.79 58.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.041 0.448 . . . . 0.0 110.989 -174.568 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 59.6 m -100.24 -47.53 4.92 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.055 -176.049 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -122.21 137.94 11.75 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.363 -0.922 . . . . 0.0 113.081 -177.707 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.0 t -112.05 123.9 51.26 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 175.369 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.695 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 16.0 m -132.72 165.46 24.46 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.087 -172.747 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -103.62 119.77 39.57 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 174.346 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.626 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 0.7 OUTLIER -112.4 165.28 12.34 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 174.56 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.549 ' HB2' HD22 ' A' ' 34' ' ' LEU . 45.7 m-85 -50.21 -33.78 20.59 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -170.151 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.549 HD22 ' HB2' ' A' ' 33' ' ' PHE . 2.1 mm? -108.73 -3.31 17.92 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -173.227 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.65 -147.75 11.66 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 119.348 -1.406 . . . . 0.0 114.102 -179.259 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.6 m -110.65 123.85 50.78 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.889 0.376 . . . . 0.0 110.982 -173.218 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.695 ' HB2' ' HB2' ' A' ' 30' ' ' CYS . 64.4 m -84.31 111.07 19.08 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.454 -179.237 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.477 ' HB3' ' CD1' ' A' ' 26' ' ' TYR . 90.5 m -97.82 103.75 15.72 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 173.396 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.464 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 53.3 p -119.15 111.97 36.51 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -170.437 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.567 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 31.6 Cg_endo -94.27 -80.23 0.0 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 122.759 2.306 . . . . 0.0 112.288 167.876 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.406 ' HA ' ' HG2' ' A' ' 10' ' ' LYS . . . -176.64 35.48 0.0 OUTLIER 'General case' 0 C--N 1.334 -0.084 0 C-N-CA 122.985 0.514 . . . . 0.0 110.027 -176.9 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.446 ' OXT' ' HE3' ' A' ' 10' ' ' LYS . 23.1 t70 . . . . . 0 C--O 1.246 0.914 0 CA-C-O 118.386 -0.816 . . . . 0.0 110.079 -176.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.716 0 N-CA-C 111.709 -0.556 . . . . 0.0 111.709 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.548 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 4.9 p -79.18 87.75 4.9 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.361 0.6 . . . . 0.0 110.514 179.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.74 138.69 55.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.158 -0.928 . . . . 0.0 112.213 -173.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 53.6 t -142.4 148.71 38.29 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.084 175.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.7 p -133.09 134.01 43.71 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 120.971 0.415 . . . . 0.0 110.773 -178.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 76.9 m -124.11 92.36 3.65 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 176.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.67 -87.94 0.36 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 121.146 -0.55 . . . . 0.0 111.808 -178.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -118.61 -17.17 9.35 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.177 0.513 . . . . 0.0 110.353 177.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.1 m -79.34 133.78 36.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.649 -178.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.493 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 95.8 mttt -121.72 131.19 53.94 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -177.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.544 ' CA ' ' HD2' ' A' ' 40' ' ' PRO . . . -162.53 -150.28 5.95 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 119.734 -1.222 . . . . 0.0 114.019 -177.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.3 mm -125.39 136.8 59.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.298 -0.451 . . . . 0.0 110.161 -171.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.548 ' CE1' ' HB ' ' A' ' 2' ' ' THR . 20.6 p90 -106.65 141.9 37.16 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.585 177.431 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.555 ' HB3' ' HB2' ' A' ' 17' ' ' ARG . 24.7 m95 -105.4 137.97 42.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.227 -175.247 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.453 ' CE2' HG21 ' A' ' 2' ' ' THR . 98.4 m-85 -79.18 106.61 11.34 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.337 -175.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.436 ' O ' ' HD3' ' A' ' 18' ' ' PRO . 86.1 m-85 58.68 16.64 4.5 Favored 'General case' 0 C--O 1.248 1.023 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 175.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.555 ' HB2' ' HB3' ' A' ' 14' ' ' TRP . 17.3 mmm180 -91.15 108.41 28.21 Favored Pre-proline 0 C--N 1.343 0.293 0 O-C-N 123.642 0.589 . . . . 0.0 110.26 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.436 ' HD3' ' O ' ' A' ' 16' ' ' TYR . 6.2 Cg_exo -79.17 4.86 6.2 Favored 'Trans proline' 0 C--O 1.247 0.949 0 C-N-CA 123.144 2.562 . . . . 0.0 111.357 178.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.5 m -113.21 91.82 3.78 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.17 -177.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.4 t -97.9 112.98 63.09 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.037 178.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -70.97 100.95 1.02 Allowed 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.909 2.406 . . . . 0.0 111.377 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.0 t -77.29 -4.02 42.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.206 0.527 . . . . 0.0 110.721 -171.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -77.61 -2.11 34.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.891 -177.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -93.08 19.78 7.53 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.017 0.437 . . . . 0.0 110.292 176.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.56 30.33 66.7 Favored Glycine 0 C--O 1.25 1.139 0 CA-C-N 115.789 -0.641 . . . . 0.0 113.112 176.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -71.05 130.3 41.18 Favored 'General case' 0 C--N 1.347 0.493 0 O-C-N 123.791 0.348 . . . . 0.0 110.491 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.4 m -95.97 -44.35 7.4 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.959 -175.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -126.95 168.23 19.17 Favored Glycine 0 N--CA 1.443 -0.893 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.41 -178.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.6 m -140.39 115.29 9.66 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 177.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 33.6 m -117.74 160.02 22.04 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.306 -176.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -90.0 109.38 20.42 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.139 0.495 . . . . 0.0 109.813 175.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.59 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 20.5 t80 -94.62 151.19 19.51 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 176.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.557 ' HB2' HD22 ' A' ' 34' ' ' LEU . 83.1 m-85 -44.31 -48.95 9.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 123.277 0.36 . . . . 0.0 111.865 -177.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.557 HD22 ' HB2' ' A' ' 33' ' ' PHE . 2.7 mm? -96.15 3.2 53.42 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -173.022 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.462 ' HA3' ' O ' ' A' ' 14' ' ' TRP . . . 161.44 -156.53 28.02 Favored Glycine 0 C--N 1.332 0.339 0 C-N-CA 118.873 -1.632 . . . . 0.0 114.535 177.326 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.2 m -87.24 118.02 26.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.38 -0.41 . . . . 0.0 111.027 -173.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.59 ' HB2' ' HB2' ' A' ' 32' ' ' TYR . 17.8 t -89.48 109.22 20.17 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 120.948 0.404 . . . . 0.0 110.779 -179.015 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 62.3 m -101.79 107.73 19.02 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.764 178.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.479 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 1.8 p -113.36 113.35 48.57 Favored Pre-proline 0 C--N 1.325 -0.476 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -172.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.544 ' HD2' ' CA ' ' A' ' 11' ' ' GLY . 74.0 Cg_endo -92.5 -105.44 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.179 0 C-N-CA 122.926 2.417 . . . . 0.0 110.869 163.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -160.24 56.83 0.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.981 0.42 . . . . 0.0 109.977 175.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 34.5 t70 . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.7 -176.447 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.822 0 N-CA-C 111.693 -0.563 . . . . 0.0 111.693 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 16.7 p -83.97 63.72 7.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.435 0.636 . . . . 0.0 111.058 -178.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.18 144.84 54.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.331 -178.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 30.9 t -152.41 148.72 27.79 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.642 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 p -141.18 128.24 20.75 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.233 0.539 . . . . 0.0 112.43 -177.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 61.1 m -105.87 86.32 2.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.239 174.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.0 -104.94 0.88 Allowed Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.165 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -84.65 -29.76 25.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.751 0.31 . . . . 0.0 110.55 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.4 m -80.74 120.99 25.34 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 -176.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.529 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 95.1 mttt -123.37 134.25 54.02 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.391 -0.226 . . . . 0.0 110.391 -175.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.495 ' HA3' ' HD2' ' A' ' 40' ' ' PRO . . . -171.87 -137.62 2.37 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.412 -0.899 . . . . 0.0 113.121 -178.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 42.3 mm -128.93 139.57 51.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 C-N-CA 122.359 0.263 . . . . 0.0 110.383 -172.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.716 ' HE2' ' HB2' ' A' ' 34' ' ' LEU . 5.6 p90 -103.54 139.18 39.22 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 119.857 -0.737 . . . . 0.0 110.468 177.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 15.9 m95 -105.26 148.45 26.97 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.275 -177.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.461 ' HA ' ' O ' ' A' ' 34' ' ' LEU . 89.0 m-85 -79.54 95.99 6.0 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.873 0.368 . . . . 0.0 111.468 -175.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.859 ' H ' ' HA3' ' A' ' 35' ' ' GLY . 68.5 m-85 54.39 76.27 0.25 Allowed 'General case' 0 C--O 1.249 1.032 0 CA-C-N 114.804 -1.089 . . . . 0.0 111.838 176.089 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -116.23 114.84 40.72 Favored Pre-proline 0 N--CA 1.452 -0.35 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.568 179.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -76.2 10.63 2.03 Favored 'Trans proline' 0 C--O 1.252 1.201 0 C-N-CA 123.032 2.488 . . . . 0.0 112.219 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.8 m -154.38 110.43 3.23 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.807 177.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 46.0 t -86.5 122.19 72.0 Favored Pre-proline 0 C--N 1.319 -0.736 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 176.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.645 ' HB2' ' HD3' ' A' ' 24' ' ' ARG . 37.1 Cg_endo -68.67 74.19 0.88 Allowed 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.843 2.362 . . . . 0.0 112.033 178.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.477 ' HA ' ' HB2' ' A' ' 26' ' ' TYR . 8.8 t -77.4 3.51 13.08 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.487 -171.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -79.72 -5.11 54.58 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.318 0.58 . . . . 0.0 109.666 175.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.645 ' HD3' ' HB2' ' A' ' 21' ' ' PRO . 26.6 mtp180 -107.46 38.9 2.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.151 -175.255 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.433 ' O ' ' HB3' ' A' ' 40' ' ' PRO . . . 89.29 -18.15 47.25 Favored Glycine 0 C--O 1.249 1.045 0 C-N-CA 120.834 -0.698 . . . . 0.0 113.667 172.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.608 ' HE2' ' HG2' ' A' ' 21' ' ' PRO . 26.3 m-85 -55.84 135.08 52.15 Favored 'General case' 0 C--N 1.347 0.478 0 O-C-N 123.755 0.327 . . . . 0.0 110.886 -178.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 13.2 t -116.8 -19.66 9.8 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.07 0.462 . . . . 0.0 110.191 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -131.88 154.97 21.2 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 121.113 -0.565 . . . . 0.0 111.993 178.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.6 m -141.21 87.61 2.1 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.161 0.505 . . . . 0.0 109.772 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 12.1 m -92.43 151.43 20.23 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.645 -176.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.442 HH11 ' HD3' ' A' ' 31' ' ' ARG . 7.2 tpt180 -79.64 110.99 15.49 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.297 0.57 . . . . 0.0 109.57 173.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.551 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 43.4 t80 -99.7 158.31 15.86 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 177.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.558 ' HB2' HD22 ' A' ' 34' ' ' LEU . 92.5 m-85 -45.85 -49.49 15.29 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.83 0.348 . . . . 0.0 111.796 -178.117 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.716 ' HB2' ' HE2' ' A' ' 13' ' ' TYR . 2.6 mm? -98.17 9.42 42.97 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 112.419 0.526 . . . . 0.0 112.419 -174.33 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.859 ' HA3' ' H ' ' A' ' 16' ' ' TYR . . . 153.24 -135.06 4.68 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 119.073 -1.537 . . . . 0.0 114.529 172.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.8 m -106.11 110.69 23.02 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.899 0.38 . . . . 0.0 110.926 -171.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.551 ' HB2' ' HB2' ' A' ' 32' ' ' TYR . 39.7 t -83.5 98.17 9.4 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.1 0.476 . . . . 0.0 110.075 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 97.2 m -91.92 108.66 20.09 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.831 -179.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.447 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 9.2 p -117.46 116.77 36.83 Favored Pre-proline 0 C--N 1.317 -0.808 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -172.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.529 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 38.2 Cg_endo -90.85 -98.44 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.115 0 C-N-CA 122.695 2.263 . . . . 0.0 111.126 164.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -153.96 21.96 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.187 0.517 . . . . 0.0 110.187 174.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.7 t70 . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.308 -0.853 . . . . 0.0 110.28 -173.155 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.64 0 N-CA-C 111.789 -0.524 . . . . 0.0 111.789 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.8 p -79.78 69.89 6.2 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.312 0.577 . . . . 0.0 110.497 177.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.416 ' HA ' ' O ' ' A' ' 11' ' ' GLY . . . -77.98 137.39 38.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.318 -0.855 . . . . 0.0 111.979 -173.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.575 ' SG ' ' HB3' ' A' ' 13' ' ' TYR . 26.7 p -141.48 158.15 44.22 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.114 176.111 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 p -142.8 133.53 25.31 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.035 0.445 . . . . 0.0 111.136 179.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 19.2 p -134.17 132.49 39.87 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.646 -0.501 . . . . 0.0 109.646 178.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.59 -102.38 0.74 Allowed Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.814 -0.707 . . . . 0.0 111.461 -175.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -129.68 9.71 5.5 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.604 0.24 . . . . 0.0 110.973 178.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.6 p -109.71 138.26 46.34 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.106 0.479 . . . . 0.0 111.438 -178.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.531 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 49.6 mtpt -116.9 136.9 52.59 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.232 -178.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.507 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -169.87 -142.6 3.62 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.101 -1.047 . . . . 0.0 113.395 179.055 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.402 HD13 ' HA ' ' A' ' 3' ' ' ALA . 47.1 mm -126.07 132.08 70.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 -172.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.582 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 9.0 p90 -94.87 139.78 30.83 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.087 -0.645 . . . . 0.0 109.956 177.01 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.463 ' O ' ' HA3' ' A' ' 35' ' ' GLY . 41.7 m95 -106.22 150.32 26.0 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.202 -0.908 . . . . 0.0 109.422 -178.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.417 ' HA ' ' O ' ' A' ' 34' ' ' LEU . 91.2 m-85 -80.14 96.11 6.44 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.811 0.339 . . . . 0.0 111.42 -175.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.802 ' H ' ' HA3' ' A' ' 35' ' ' GLY . 82.5 m-85 51.6 78.63 0.11 Allowed 'General case' 0 C--O 1.251 1.16 0 CA-C-N 114.922 -1.036 . . . . 0.0 112.391 176.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.433 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 17.9 mmt180 -116.47 121.74 32.87 Favored Pre-proline 0 C--N 1.344 0.355 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.816 179.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 17' ' ' ARG . 26.9 Cg_exo -62.64 -12.38 28.14 Favored 'Trans proline' 0 C--O 1.25 1.117 0 C-N-CA 123.222 2.615 . . . . 0.0 113.102 -175.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.1 m -147.79 144.68 28.38 Favored 'General case' 0 N--CA 1.452 -0.345 0 O-C-N 123.752 0.658 . . . . 0.0 109.829 179.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.4 t -99.87 121.23 54.93 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.188 176.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.439 ' O ' ' HD2' ' A' ' 26' ' ' TYR . 46.7 Cg_endo -70.27 87.68 0.61 Allowed 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 122.362 2.041 . . . . 0.0 111.699 177.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.4 p -77.11 -8.83 58.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.375 0.607 . . . . 0.0 110.479 -176.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -79.14 -11.73 59.98 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.875 177.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.57 33.57 1.42 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.568 178.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.592 ' O ' ' HB3' ' A' ' 40' ' ' PRO . . . 90.18 -30.22 6.06 Favored Glycine 0 C--O 1.247 0.925 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.903 175.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.622 ' HD1' ' HD3' ' A' ' 40' ' ' PRO . 37.7 m-85 -58.75 129.42 42.02 Favored 'General case' 0 C--N 1.346 0.43 0 O-C-N 124.178 0.575 . . . . 0.0 110.741 -177.084 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 41.4 m -104.59 -40.27 6.08 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.079 0.466 . . . . 0.0 110.766 -175.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -110.94 149.08 17.81 Favored Glycine 0 N--CA 1.441 -0.988 0 C-N-CA 120.954 -0.641 . . . . 0.0 111.663 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.9 p -128.09 90.87 3.16 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.198 0.523 . . . . 0.0 110.207 179.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 59.7 m -96.37 145.11 25.9 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.33 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.47 ' C ' ' HD3' ' A' ' 31' ' ' ARG . 0.1 OUTLIER -82.83 123.94 29.84 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.344 -0.542 . . . . 0.0 109.56 -179.74 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.449 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 31.8 t80 -108.67 154.46 21.97 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 179.269 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -48.93 -39.34 25.81 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.945 0.402 . . . . 0.0 111.773 -177.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.567 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 2.6 mm? -94.96 -2.2 50.95 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -175.44 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.802 ' HA3' ' H ' ' A' ' 16' ' ' TYR . . . 158.38 -128.01 1.99 Allowed Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 119.635 -1.269 . . . . 0.0 114.051 174.138 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.5 m -114.3 111.6 21.76 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 120.892 0.377 . . . . 0.0 110.842 -173.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.582 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 43.0 t -83.46 99.13 9.9 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.002 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.516 ' HB3' ' CG ' ' A' ' 26' ' ' TYR . 94.1 m -92.47 115.39 28.06 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.148 -179.267 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.507 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 21.5 p -122.77 114.97 29.62 Favored Pre-proline 0 C--N 1.322 -0.588 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 -170.141 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.622 ' HD3' ' HD1' ' A' ' 26' ' ' TYR . 29.1 Cg_endo -97.49 -93.34 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.127 0 C-N-CA 123.054 2.503 . . . . 0.0 111.257 161.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -157.62 57.1 0.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.596 175.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 33.9 t70 . . . . . 0 C--O 1.246 0.891 0 CA-C-O 118.507 -0.759 . . . . 0.0 110.922 -176.577 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.823 0 N-CA-C 112.011 -0.436 . . . . 0.0 112.011 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.511 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 16.9 p -84.64 68.34 10.34 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.557 0.694 . . . . 0.0 110.387 178.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.33 137.43 56.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.878 -175.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 43.4 t -141.72 154.56 45.37 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.236 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.6 m -146.34 140.87 26.71 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.443 0.639 . . . . 0.0 111.792 -177.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 59.7 m -130.75 94.86 3.71 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.814 -1.084 . . . . 0.0 108.507 174.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.16 -118.88 7.64 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.654 -0.784 . . . . 0.0 111.68 -176.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -88.84 -14.06 37.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.066 0.46 . . . . 0.0 109.884 175.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.5 m -79.31 118.04 20.86 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.766 -177.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.616 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 36.2 mtmm -122.56 134.21 54.54 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.202 -0.454 . . . . 0.0 109.848 -176.318 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.439 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -166.57 -146.34 4.81 Favored Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 120.191 -1.004 . . . . 0.0 113.002 -177.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 47.1 mm -127.31 138.8 53.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -173.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.548 ' HE2' ' HB2' ' A' ' 34' ' ' LEU . 5.4 p90 -101.68 137.0 40.57 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.39 177.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 22.9 m95 -102.44 144.64 30.64 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.583 -177.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -79.43 102.18 8.59 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.784 -0.189 . . . . 0.0 111.071 -177.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 55.89 61.28 2.85 Favored 'General case' 0 C--O 1.253 1.253 0 O-C-N 123.806 0.692 . . . . 0.0 111.815 176.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.1 mtp180 -141.46 72.91 25.45 Favored Pre-proline 0 C--N 1.343 0.324 0 O-C-N 123.91 0.756 . . . . 0.0 110.761 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -58.77 -19.79 48.23 Favored 'Trans proline' 0 C--O 1.25 1.097 0 C-N-CA 122.685 2.257 . . . . 0.0 111.674 -178.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.9 m -90.69 69.9 6.65 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 114.905 -1.043 . . . . 0.0 109.024 177.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 34.3 t -71.93 123.32 89.28 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.651 -176.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -78.94 102.29 1.52 Allowed 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 122.609 2.206 . . . . 0.0 111.339 178.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.57 ' HA ' ' HD2' ' A' ' 26' ' ' TYR . 6.0 t -79.2 65.29 4.33 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 122.318 1.056 . . . . 0.0 111.205 -175.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -79.6 -29.11 41.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.305 176.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.7 mtm180 -106.85 20.49 18.96 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.994 -177.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.445 ' O ' ' HB3' ' A' ' 40' ' ' PRO . . . 66.84 52.83 30.84 Favored Glycine 0 C--O 1.248 1.027 0 CA-C-N 116.07 -0.514 . . . . 0.0 113.452 175.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.57 ' HD2' ' HA ' ' A' ' 22' ' ' THR . 61.2 m-85 -66.03 121.2 14.59 Favored 'General case' 0 C--N 1.346 0.454 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 11.0 m -88.68 -45.74 9.58 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.211 -171.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -120.84 159.37 15.49 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.515 -175.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.7 t -128.92 122.83 31.1 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 177.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.446 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 56.1 m -124.65 151.26 45.13 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 178.207 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.13 102.17 14.89 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.132 -0.627 . . . . 0.0 109.369 177.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.636 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 34.9 t80 -84.38 157.53 21.41 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.465 -0.788 . . . . 0.0 109.298 -178.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.624 ' HB3' HD22 ' A' ' 34' ' ' LEU . 25.4 t80 -44.68 -46.79 10.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 123.471 0.482 . . . . 0.0 112.086 -176.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.624 HD22 ' HB3' ' A' ' 33' ' ' PHE . 2.9 mm? -102.47 6.09 39.89 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -174.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 161.21 -144.78 10.17 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 118.713 -1.708 . . . . 0.0 114.441 177.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.2 m -98.12 115.75 28.92 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 122.513 0.325 . . . . 0.0 111.128 -172.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.636 ' HB2' ' HB2' ' A' ' 32' ' ' TYR . 37.8 t -87.28 108.22 18.85 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.9 0.381 . . . . 0.0 110.757 -179.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 60.2 m -100.27 111.4 23.68 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.057 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.439 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 16.5 p -119.89 113.6 34.35 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -173.227 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.616 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 24.6 Cg_endo -95.39 -90.63 0.0 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.305 0 C-N-CA 122.918 2.412 . . . . 0.0 111.042 163.441 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -168.25 50.9 0.05 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.226 179.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.423 ' OD1' ' HA2' ' A' ' 11' ' ' GLY . 5.6 p-10 . . . . . 0 C--O 1.251 1.153 0 CA-C-O 118.186 -0.912 . . . . 0.0 110.758 -177.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.63 0 N-CA-C 112.202 -0.359 . . . . 0.0 112.202 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.7 p -82.74 62.06 6.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.368 0.604 . . . . 0.0 110.819 178.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -80.84 150.88 28.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.621 -176.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 14.6 p -145.14 161.72 38.8 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.462 176.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 p -133.62 134.48 43.29 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.379 0.609 . . . . 0.0 111.797 -175.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 70.7 m -127.17 89.86 3.04 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.664 176.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.87 -108.09 2.36 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 121.006 -0.616 . . . . 0.0 111.96 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -102.4 -5.72 23.81 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.971 0.415 . . . . 0.0 110.666 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.0 m -101.05 126.19 47.71 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.142 179.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.507 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -126.74 143.09 51.35 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 -178.094 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.478 ' N ' HG22 ' A' ' 39' ' ' THR . . . -170.38 -143.63 4.02 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.372 -0.918 . . . . 0.0 112.745 -178.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 44.7 mm -124.82 140.68 47.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -173.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.547 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 2.0 p90 -97.05 131.74 43.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.482 0.658 . . . . 0.0 109.98 177.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 20.9 m95 -97.15 154.95 17.05 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 114.81 -1.086 . . . . 0.0 109.169 -179.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -85.71 83.38 7.88 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.791 0.329 . . . . 0.0 110.322 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.497 ' H ' ' HA3' ' A' ' 35' ' ' GLY . 81.5 m-85 67.45 86.88 0.13 Allowed 'General case' 0 C--O 1.249 1.065 0 CA-C-N 114.942 -1.026 . . . . 0.0 111.975 177.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -131.5 87.73 45.62 Favored Pre-proline 0 C--N 1.346 0.444 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.018 177.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -64.03 -7.65 14.04 Favored 'Trans proline' 0 C--O 1.248 1.001 0 C-N-CA 123.123 2.549 . . . . 0.0 112.317 179.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 40.0 m -136.65 66.55 1.48 Allowed 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.45 175.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.436 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 34.7 t -64.75 125.08 88.13 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.164 -179.079 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 20' ' ' CYS . 8.2 Cg_exo -69.33 108.38 1.98 Allowed 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 123.224 2.616 . . . . 0.0 111.879 -177.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 37.1 p -79.03 29.18 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -171.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -77.21 -22.33 52.48 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.651 0.262 . . . . 0.0 111.372 -172.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 -79.71 -0.89 36.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.506 0.669 . . . . 0.0 109.742 172.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.59 45.55 7.83 Favored Glycine 0 C--O 1.246 0.85 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -176.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -62.83 129.29 39.78 Favored 'General case' 0 C--N 1.347 0.483 0 O-C-N 124.244 0.614 . . . . 0.0 111.029 -175.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.4 m -96.36 -48.21 5.68 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.677 -177.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -120.73 153.12 16.71 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.705 -178.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.7 p -129.03 82.01 2.06 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.474 0.654 . . . . 0.0 109.902 177.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.487 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 47.7 m -84.77 159.48 20.45 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.227 -176.432 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 31' ' ' ARG . 8.3 tpt180 -90.47 117.83 29.47 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.007 0.432 . . . . 0.0 110.129 177.321 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -102.62 156.87 17.33 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 177.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.614 ' HB2' HD22 ' A' ' 34' ' ' LEU . 62.0 m-85 -49.24 -38.75 27.73 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -174.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.614 HD22 ' HB2' ' A' ' 33' ' ' PHE . 2.2 mm? -108.27 7.03 27.11 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.376 0.509 . . . . 0.0 112.376 -174.361 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.497 ' HA3' ' H ' ' A' ' 16' ' ' TYR . . . 163.2 -140.01 6.24 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 118.899 -1.619 . . . . 0.0 114.324 177.096 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.7 m -110.62 113.46 26.1 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.822 0.344 . . . . 0.0 111.195 -170.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.547 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 25.3 t -80.53 99.44 8.06 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.417 179.418 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 64.6 m -93.02 107.68 19.42 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.996 -178.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.478 HG22 ' N ' ' A' ' 11' ' ' GLY . 6.1 p -116.0 107.19 48.37 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 115.756 -0.657 . . . . 0.0 112.7 -171.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.507 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 74.1 Cg_endo -92.89 -94.68 0.0 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.076 0 C-N-CA 122.631 2.221 . . . . 0.0 111.425 166.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -151.06 17.19 0.76 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.456 0.646 . . . . 0.0 109.488 176.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.253 1.252 0 CA-C-O 118.202 -0.904 . . . . 0.0 109.825 -172.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.779 0 N-CA-C 111.987 -0.445 . . . . 0.0 111.987 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.571 ' HB ' ' CE2' ' A' ' 13' ' ' TYR . 18.5 p -82.69 74.1 9.68 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.26 0.553 . . . . 0.0 111.041 -177.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.03 140.2 57.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.514 -176.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 54.1 t -146.01 154.32 41.75 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.461 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.3 t -139.12 141.47 38.09 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.5 0.667 . . . . 0.0 111.399 -178.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 83.1 m -122.65 81.01 1.8 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.908 -1.042 . . . . 0.0 108.812 174.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.56 -95.44 0.53 Allowed Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 121.015 -0.612 . . . . 0.0 112.1 -179.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -108.92 -10.97 15.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.728 0.299 . . . . 0.0 110.866 178.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.2 m -90.02 109.02 20.09 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 177.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.498 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 27.9 mtmm -108.11 143.39 36.93 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.591 -178.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.43 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -170.87 -141.23 3.25 Favored Glycine 0 N--CA 1.441 -0.981 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.436 -179.458 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 49.6 mm -129.04 137.16 57.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 -174.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.571 ' CE2' ' HB ' ' A' ' 2' ' ' THR . 3.1 p90 -95.38 131.06 41.9 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 119.881 -0.728 . . . . 0.0 109.448 175.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.42 ' O ' ' HA3' ' A' ' 35' ' ' GLY . 40.8 m95 -98.88 144.57 27.93 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.971 -176.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -78.32 101.49 7.22 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 120.835 0.35 . . . . 0.0 110.271 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.418 ' H ' ' HA3' ' A' ' 35' ' ' GLY . 80.6 m-85 62.36 77.96 0.31 Allowed 'General case' 0 C--O 1.251 1.153 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.691 177.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 86.2 mmt-85 -135.47 71.86 65.45 Favored Pre-proline 0 C--N 1.346 0.443 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.644 176.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.28 -21.43 22.85 Favored 'Trans proline' 0 C--O 1.25 1.091 0 C-N-CA 122.922 2.414 . . . . 0.0 112.404 -177.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.3 t -127.68 87.9 2.7 Favored 'General case' 0 N--CA 1.446 -0.639 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 175.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.2 t -66.83 129.68 94.04 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.56 -171.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -75.0 98.12 1.14 Allowed 'Trans proline' 0 N--CA 1.461 -0.408 0 C-N-CA 122.843 2.362 . . . . 0.0 111.126 176.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.568 ' HA ' ' CD2' ' A' ' 26' ' ' TYR . 5.0 t -79.02 87.19 4.83 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 122.177 0.989 . . . . 0.0 111.187 -175.137 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -83.0 -28.0 30.0 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.968 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -128.07 36.66 4.28 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.032 0.444 . . . . 0.0 111.417 -174.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.48 ' O ' ' HB3' ' A' ' 40' ' ' PRO . . . 61.93 56.69 21.13 Favored Glycine 0 C--O 1.25 1.1 0 CA-C-N 115.749 -0.66 . . . . 0.0 113.248 177.079 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.568 ' CD2' ' HA ' ' A' ' 22' ' ' THR . 23.1 m-85 -59.48 118.05 5.58 Favored 'General case' 0 C--N 1.345 0.372 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 176.135 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.3 m -86.47 -37.66 18.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.795 0.331 . . . . 0.0 110.921 -171.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -123.75 157.3 18.15 Favored Glycine 0 N--CA 1.441 -1.001 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.083 178.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 59.8 m -133.81 82.86 2.0 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 176.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.473 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 36.3 m -85.35 157.38 20.55 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.374 -178.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.404 ' HA ' ' HD2' ' A' ' 31' ' ' ARG . 7.1 tpt180 -89.2 122.87 32.91 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.277 177.292 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -108.05 156.39 19.31 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.631 -0.878 . . . . 0.0 108.631 176.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.526 ' HB2' HD22 ' A' ' 34' ' ' LEU . 94.6 m-85 -47.0 -44.34 20.15 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -175.587 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.526 HD22 ' HB2' ' A' ' 33' ' ' PHE . 2.7 mm? -101.19 1.26 38.86 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -173.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.42 ' HA3' ' O ' ' A' ' 14' ' ' TRP . . . 165.87 -143.36 8.35 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 119.073 -1.537 . . . . 0.0 114.117 178.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.2 m -106.42 118.07 35.68 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.162 0.506 . . . . 0.0 111.378 -172.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.501 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 41.2 t -81.96 96.98 7.87 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.157 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.456 ' HB3' ' CG ' ' A' ' 26' ' ' TYR . 57.4 m -91.77 109.08 20.4 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.027 -177.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.43 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 16.6 p -124.32 112.95 27.86 Favored Pre-proline 0 C--N 1.322 -0.626 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 -170.28 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.498 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 37.9 Cg_endo -98.98 -94.69 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.145 0 C-N-CA 123.022 2.481 . . . . 0.0 111.544 163.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -152.72 45.5 0.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 175.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.7 t70 . . . . . 0 C--O 1.249 1.047 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.075 -171.904 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.779 0 N-CA-C 111.668 -0.573 . . . . 0.0 111.668 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.6 ' HB ' ' CE2' ' A' ' 13' ' ' TYR . 18.2 p -79.94 71.61 6.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.277 0.56 . . . . 0.0 110.476 178.044 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.64 163.23 14.18 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.482 -174.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.4 p -156.1 163.58 39.47 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.155 176.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.3 t -141.43 138.91 33.25 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.446 0.641 . . . . 0.0 111.315 -175.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 55.8 m -121.24 78.42 1.41 Allowed 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.056 -0.975 . . . . 0.0 108.875 176.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.14 -100.22 0.38 Allowed Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.529 -0.759 . . . . 0.0 112.299 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -86.13 -31.32 21.91 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.776 0.322 . . . . 0.0 110.849 -179.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.1 m -86.25 129.29 34.9 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.15 -177.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.628 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 9.7 ptpp? -130.65 137.67 49.7 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 121.158 -0.217 . . . . 0.0 110.504 -177.547 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -170.18 -142.83 3.71 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.062 -1.066 . . . . 0.0 113.593 -177.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.6 mm -127.3 141.69 45.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -171.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.613 ' HE1' ' HB2' ' A' ' 34' ' ' LEU . 3.0 p90 -97.93 134.68 40.72 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 121.501 0.667 . . . . 0.0 110.111 177.613 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 22.5 m95 -104.06 167.86 9.49 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.957 -1.02 . . . . 0.0 109.179 179.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -97.99 105.8 18.0 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 120.61 0.243 . . . . 0.0 110.772 -177.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.521 ' H ' ' HA3' ' A' ' 35' ' ' GLY . 62.3 m-85 53.99 73.99 0.35 Allowed 'General case' 0 C--O 1.25 1.107 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.924 178.21 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.7 mmt180 -119.58 111.2 36.43 Favored Pre-proline 0 C--N 1.341 0.234 0 CA-C-N 116.207 -0.452 . . . . 0.0 109.969 177.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -62.97 -12.39 29.32 Favored 'Trans proline' 0 C--O 1.249 1.069 0 C-N-CA 123.024 2.483 . . . . 0.0 111.929 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.2 p -159.24 134.67 8.45 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 114.804 -1.089 . . . . 0.0 109.242 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 73.7 m -78.98 128.7 75.56 Favored Pre-proline 0 C--N 1.318 -0.8 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.45 178.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -62.42 92.67 0.13 Allowed 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.477 2.118 . . . . 0.0 110.294 174.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.0 t -79.79 55.45 2.05 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.679 0.752 . . . . 0.0 112.497 -166.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -79.66 -38.81 32.84 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 174.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 -84.39 2.73 39.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.885 179.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.06 58.7 5.48 Favored Glycine 0 C--O 1.249 1.081 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.333 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -63.0 124.97 22.45 Favored 'General case' 0 C--N 1.347 0.475 0 CA-C-O 121.039 0.447 . . . . 0.0 110.806 -177.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.2 m -100.26 -28.96 12.72 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.212 0.53 . . . . 0.0 110.61 -173.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -123.66 137.74 11.08 Favored Glycine 0 N--CA 1.443 -0.849 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.68 177.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.9 m -117.66 82.15 1.78 Allowed 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 178.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.637 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 59.5 m -87.99 163.96 16.04 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.042 -177.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.438 ' C ' ' HD3' ' A' ' 31' ' ' ARG . 0.2 OUTLIER -100.91 128.56 46.89 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 177.672 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.448 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 18.5 t80 -113.44 152.78 29.64 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 179.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.596 ' HB2' HD22 ' A' ' 34' ' ' LEU . 70.5 m-85 -43.12 -44.08 4.8 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -176.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.613 ' HB2' ' HE1' ' A' ' 13' ' ' TYR . 2.1 mm? -97.36 -6.52 33.98 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 -172.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.521 ' HA3' ' H ' ' A' ' 16' ' ' TYR . . . 170.34 -126.07 1.3 Allowed Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 119.829 -1.177 . . . . 0.0 113.897 179.05 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.1 m -115.27 122.8 47.06 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.697 0.284 . . . . 0.0 110.978 -172.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.637 ' HB3' ' HB2' ' A' ' 30' ' ' CYS . 38.9 t -88.07 96.98 10.72 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.205 0.526 . . . . 0.0 109.597 179.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 57.8 m -90.67 108.75 20.01 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.077 -176.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.8 p -120.56 113.32 33.53 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -172.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.628 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 35.7 Cg_endo -97.14 -79.83 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.17 0 C-N-CA 122.442 2.095 . . . . 0.0 111.967 163.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.482 ' HA ' ' HG2' ' A' ' 10' ' ' LYS . . . -176.56 43.08 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 -175.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.8 t70 . . . . . 0 C--O 1.247 0.939 0 CA-C-N 115.023 -0.99 . . . . 0.0 110.503 -172.666 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.714 0 N-CA-C 112.092 -0.403 . . . . 0.0 112.092 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.463 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 18.5 p -85.61 68.44 10.41 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.097 0.475 . . . . 0.0 110.574 178.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.492 ' HA ' HD13 ' A' ' 12' ' ' ILE . . . -61.68 145.89 50.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.099 -178.152 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 42.1 t -150.5 163.68 37.83 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.403 -177.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m -146.85 144.02 29.01 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.44 -178.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 14.2 t -152.29 122.66 7.24 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 176.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.33 -122.54 30.18 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.814 -0.708 . . . . 0.0 111.796 -175.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -94.86 -9.93 32.84 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.829 0.347 . . . . 0.0 110.883 177.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.6 p -95.73 138.43 33.4 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.019 0.438 . . . . 0.0 111.343 -174.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.413 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 58.6 mttp -127.82 140.24 52.16 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.315 178.249 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -167.24 -132.11 1.36 Allowed Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.627 -176.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.492 HD13 ' HA ' ' A' ' 3' ' ' ALA . 50.0 mm -132.3 137.96 53.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -175.16 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.643 ' HE2' ' HB2' ' A' ' 34' ' ' LEU . 11.0 p90 -100.64 139.18 36.69 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.081 -0.647 . . . . 0.0 110.025 177.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.458 ' HB3' ' HG3' ' A' ' 17' ' ' ARG . 20.4 m95 -103.6 146.41 28.6 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.302 -0.863 . . . . 0.0 109.729 -177.286 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -79.38 95.08 5.65 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.667 ' H ' ' HA3' ' A' ' 35' ' ' GLY . 84.2 m-85 58.1 76.04 0.35 Allowed 'General case' 0 C--O 1.25 1.12 0 CA-C-N 115.493 -0.776 . . . . 0.0 112.024 178.346 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.458 ' HG3' ' HB3' ' A' ' 14' ' ' TRP . 17.1 mmm180 -131.51 82.83 60.48 Favored Pre-proline 0 C--N 1.343 0.305 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.677 177.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.41 -24.33 34.89 Favored 'Trans proline' 0 C--O 1.248 1.014 0 C-N-CA 123.607 2.871 . . . . 0.0 113.042 -174.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.9 t -106.9 91.09 3.52 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.481 -0.781 . . . . 0.0 108.974 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 48.0 t -69.23 116.32 41.1 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.101 -179.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -60.26 115.93 2.98 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.898 2.399 . . . . 0.0 112.134 -176.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.0 t -85.26 23.86 1.22 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.366 0.603 . . . . 0.0 110.377 -176.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -78.69 -25.93 44.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.9 -174.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -118.76 38.99 3.61 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.803 -0.359 . . . . 0.0 111.9 -179.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 55.22 25.41 39.84 Favored Glycine 0 C--O 1.25 1.126 0 N-CA-C 114.595 0.598 . . . . 0.0 114.595 171.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -48.21 120.86 3.84 Favored 'General case' 0 C--N 1.349 0.575 0 O-C-N 124.0 0.47 . . . . 0.0 110.332 175.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.6 m -83.65 -45.76 13.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.985 -171.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -121.19 156.16 16.28 Favored Glycine 0 N--CA 1.441 -1.006 0 C-N-CA 120.978 -0.63 . . . . 0.0 112.136 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.417 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 9.2 t -139.26 103.01 4.64 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 176.323 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 56.9 m -113.88 146.4 40.07 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.551 -176.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.406 ' C ' ' HD3' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -78.16 110.14 12.88 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.501 0.667 . . . . 0.0 109.734 -178.815 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.64 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 43.5 t80 -93.21 158.81 15.57 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 114.893 -1.049 . . . . 0.0 108.694 179.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.57 ' HB2' HD22 ' A' ' 34' ' ' LEU . 53.0 m-85 -43.04 -48.16 6.02 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -176.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.643 ' HB2' ' HE2' ' A' ' 13' ' ' TYR . 3.0 mm? -92.82 -7.56 46.03 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 -174.002 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.667 ' HA3' ' H ' ' A' ' 16' ' ' TYR . . . 165.96 -128.98 1.85 Allowed Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 118.953 -1.594 . . . . 0.0 114.304 178.122 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.6 m -111.1 109.37 19.42 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.057 0.456 . . . . 0.0 111.043 -171.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.64 ' HB2' ' HB2' ' A' ' 32' ' ' TYR . 39.1 t -85.46 110.48 19.2 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.469 -178.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 82.9 m -103.55 116.13 31.81 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.051 0.453 . . . . 0.0 110.001 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.6 p -124.39 113.58 27.6 Favored Pre-proline 0 C--N 1.321 -0.669 0 N-CA-C 112.913 0.709 . . . . 0.0 112.913 -172.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.413 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 37.0 Cg_endo -96.7 -90.33 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 122.787 2.325 . . . . 0.0 111.16 165.349 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -163.85 31.61 0.08 Allowed 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 175.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.5 t70 . . . . . 0 C--O 1.246 0.889 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.476 -168.339 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.517 0 N-CA-C 111.951 -0.46 . . . . 0.0 111.951 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.554 HG22 ' CE1' ' A' ' 13' ' ' TYR . 1.1 m -79.64 63.08 4.12 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.472 0.653 . . . . 0.0 109.617 177.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.458 ' HA ' ' O ' ' A' ' 11' ' ' GLY . . . -66.83 138.92 57.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.884 -1.053 . . . . 0.0 112.337 -173.247 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 52.5 t -146.77 166.78 25.6 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.811 -1.086 . . . . 0.0 108.421 176.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.3 t -146.5 143.37 28.89 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.25 0.547 . . . . 0.0 111.941 -175.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 72.2 m -125.82 94.32 4.08 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.019 -0.991 . . . . 0.0 108.904 173.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.87 -104.78 1.6 Allowed Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.761 -0.733 . . . . 0.0 111.323 -176.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -103.58 -13.81 16.41 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.997 0.427 . . . . 0.0 110.012 176.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.3 m -78.69 134.86 37.08 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.665 -177.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.421 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 34.6 mtmm -131.6 142.14 49.82 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.045 -175.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.458 ' O ' ' HA ' ' A' ' 3' ' ' ALA . . . -175.43 -137.81 2.63 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.352 -0.928 . . . . 0.0 112.634 -178.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.415 HG23 ' HB ' ' A' ' 2' ' ' THR . 48.9 mm -123.64 134.95 64.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 -172.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.563 ' HE2' ' HB2' ' A' ' 34' ' ' LEU . 5.3 p90 -104.28 133.03 49.87 Favored 'General case' 0 N--CA 1.448 -0.533 0 C-N-CA 120.046 -0.662 . . . . 0.0 110.209 175.494 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.446 ' O ' ' HA3' ' A' ' 35' ' ' GLY . 65.3 m95 -93.26 164.86 13.07 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.137 -0.938 . . . . 0.0 109.245 -176.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -105.37 104.85 14.66 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 120.564 -0.454 . . . . 0.0 111.661 -174.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.427 ' H ' ' HA3' ' A' ' 35' ' ' GLY . 87.7 m-85 59.57 67.51 0.88 Allowed 'General case' 0 C--O 1.25 1.119 0 CA-C-N 115.05 -0.977 . . . . 0.0 112.131 176.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.447 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 50.9 mtt180 -124.46 121.14 25.93 Favored Pre-proline 0 C--N 1.346 0.414 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.512 175.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 17' ' ' ARG . 33.2 Cg_exo -60.91 -13.97 30.03 Favored 'Trans proline' 0 C--O 1.252 1.187 0 C-N-CA 123.417 2.744 . . . . 0.0 113.042 -178.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 59.1 p -138.8 144.55 39.39 Favored 'General case' 0 N--CA 1.45 -0.472 0 O-C-N 123.696 0.622 . . . . 0.0 110.582 -178.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 41.8 t -93.97 116.17 66.1 Favored Pre-proline 0 C--N 1.322 -0.615 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 174.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 20' ' ' CYS . 21.5 Cg_exo -65.18 98.12 0.31 Allowed 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 122.824 2.349 . . . . 0.0 112.034 -179.432 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.0 p -79.08 16.88 0.84 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.217 0.532 . . . . 0.0 111.245 -176.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -78.96 -12.7 60.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.878 177.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.5 ' HB2' ' CE2' ' A' ' 26' ' ' TYR . 17.5 mmm180 -107.63 27.48 9.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.285 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 61.96 14.19 44.36 Favored Glycine 0 C--O 1.251 1.16 0 CA-C-O 119.662 -0.521 . . . . 0.0 114.324 173.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.619 ' CG ' ' HB3' ' A' ' 38' ' ' CYS . 31.1 m-85 -53.53 133.27 41.07 Favored 'General case' 0 C--N 1.347 0.459 0 O-C-N 123.878 0.399 . . . . 0.0 111.177 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 91.7 m -94.42 -50.6 5.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.777 -176.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -105.69 144.93 15.86 Favored Glycine 0 N--CA 1.442 -0.913 0 N-CA-C 111.608 -0.597 . . . . 0.0 111.608 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.5 p -128.19 87.96 2.68 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.524 0.678 . . . . 0.0 109.756 178.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 16.8 m -103.54 136.21 43.69 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.757 -176.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.74 114.96 18.11 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 177.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.464 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 2.0 t80 -102.25 158.11 16.42 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -178.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -49.43 -40.79 37.95 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 111.849 0.315 . . . . 0.0 111.849 -172.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.563 ' HB2' ' HE2' ' A' ' 13' ' ' TYR . 2.3 mm? -91.9 -13.86 30.56 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 112.392 0.515 . . . . 0.0 112.392 -176.314 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.446 ' HA3' ' O ' ' A' ' 14' ' ' TRP . . . 168.83 -133.69 2.95 Favored Glycine 0 C--O 1.225 -0.453 0 C-N-CA 119.298 -1.43 . . . . 0.0 114.146 -179.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.23 105.79 15.37 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.713 0.292 . . . . 0.0 111.323 -170.133 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.464 ' HB2' ' HB2' ' A' ' 32' ' ' TYR . 51.5 t -80.36 98.08 7.31 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.975 0.417 . . . . 0.0 110.177 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.619 ' HB3' ' CG ' ' A' ' 26' ' ' TYR . 73.4 m -101.34 114.84 29.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.293 -178.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.3 p -125.68 111.28 25.27 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -169.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.522 ' HD3' ' HD1' ' A' ' 26' ' ' TYR . 42.1 Cg_endo -97.27 -90.11 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 122.795 2.33 . . . . 0.0 111.217 165.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -157.24 32.53 0.28 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 174.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.9 t70 . . . . . 0 C--O 1.248 1.002 0 CA-C-N 115.184 -0.917 . . . . 0.0 110.544 -171.877 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.601 0 N-CA-C 111.603 -0.599 . . . . 0.0 111.603 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.44 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 16.9 p -82.58 69.16 9.3 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.125 0.488 . . . . 0.0 110.642 179.283 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.473 ' HA ' HD13 ' A' ' 12' ' ' ILE . . . -75.85 143.7 41.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.758 -176.079 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.488 ' SG ' ' HB3' ' A' ' 13' ' ' TYR . 30.8 p -145.58 174.41 11.19 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.471 175.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.5 m -144.98 140.45 28.2 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.24 0.543 . . . . 0.0 111.646 -177.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 79.6 m -121.11 80.48 1.65 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.532 173.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.03 -98.25 0.62 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 121.011 -0.614 . . . . 0.0 111.888 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -94.3 -24.08 17.57 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.97 0.414 . . . . 0.0 110.527 178.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.8 m -81.3 127.1 32.36 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.517 -176.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.444 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 62.0 mttm -120.07 131.37 55.07 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -178.157 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.483 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -168.92 -141.23 3.15 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 119.566 -1.302 . . . . 0.0 113.586 -178.165 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.473 HD13 ' HA ' ' A' ' 3' ' ' ALA . 50.1 mm -128.93 136.22 60.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.573 -0.313 . . . . 0.0 110.187 -171.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.488 ' HB3' ' SG ' ' A' ' 4' ' ' CYS . 22.9 p90 -97.66 139.74 33.1 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.333 -0.547 . . . . 0.0 109.65 176.072 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 35.1 m95 -109.86 149.96 29.1 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.425 -177.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -79.46 88.94 5.02 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.104 0.478 . . . . 0.0 111.182 -176.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.428 ' H ' ' HA3' ' A' ' 35' ' ' GLY . 88.4 m-85 63.52 64.43 0.81 Allowed 'General case' 0 C--O 1.248 1.02 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.919 176.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.406 ' HA ' ' HD3' ' A' ' 18' ' ' PRO . 10.4 mmt180 -100.57 118.67 60.5 Favored Pre-proline 0 C--N 1.345 0.387 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.162 174.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 17' ' ' ARG . 9.7 Cg_exo -71.49 -1.62 10.04 Favored 'Trans proline' 0 C--O 1.248 0.982 0 C-N-CA 122.861 2.374 . . . . 0.0 111.997 -179.196 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.3 t -160.16 133.62 6.94 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.221 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 89.4 m -80.0 123.98 83.27 Favored Pre-proline 0 C--N 1.321 -0.642 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 176.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.433 ' HB2' ' HE2' ' A' ' 26' ' ' TYR . 83.4 Cg_exo -42.4 108.85 0.11 Allowed 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 123.28 2.653 . . . . 0.0 112.281 178.487 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 12.2 t -77.4 -3.46 40.35 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.792 -169.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.46 ' HB2' ' NH1' ' A' ' 24' ' ' ARG . 3.6 m-20 -79.21 -22.06 45.43 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.301 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.46 ' NH1' ' HB2' ' A' ' 23' ' ' ASP . 2.3 mpp_? -104.59 17.89 23.27 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.629 -178.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 49.68 32.92 17.82 Favored Glycine 0 C--O 1.25 1.121 0 N-CA-C 114.959 0.744 . . . . 0.0 114.959 171.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.433 ' HE2' ' HB2' ' A' ' 21' ' ' PRO . 44.0 m-85 -53.45 131.21 37.73 Favored 'General case' 0 C--N 1.345 0.411 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 174.06 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.5 m -96.02 -46.38 6.53 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.134 0.492 . . . . 0.0 110.804 -174.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -99.95 155.89 19.64 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.633 178.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 39.9 m -144.88 76.56 1.5 Allowed 'General case' 0 C--N 1.319 -0.717 0 CA-C-O 121.566 0.698 . . . . 0.0 109.551 -179.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.7 m -92.76 140.31 29.65 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.076 -175.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -79.07 103.82 9.28 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 176.386 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.599 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 25.4 t80 -90.51 157.16 17.69 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.193 -0.912 . . . . 0.0 108.919 -178.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.448 ' HB2' HD22 ' A' ' 34' ' ' LEU . 58.2 m-85 -41.91 -45.38 3.72 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 123.56 0.538 . . . . 0.0 112.301 -177.013 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.469 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 2.1 mm? -90.24 -17.68 27.04 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -173.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.428 ' HA3' ' H ' ' A' ' 16' ' ' TYR . . . 170.63 -129.13 1.74 Allowed Glycine 0 C--O 1.227 -0.339 0 C-N-CA 119.574 -1.298 . . . . 0.0 113.616 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.8 m -108.91 108.9 19.84 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.832 0.349 . . . . 0.0 110.781 -174.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.599 ' HB2' ' HB2' ' A' ' 32' ' ' TYR . 49.8 t -80.76 97.91 7.53 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.953 179.417 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.416 ' HB3' ' CG ' ' A' ' 26' ' ' TYR . 56.3 m -94.57 107.3 19.29 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.485 -178.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.483 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 7.4 p -119.29 113.55 35.25 Favored Pre-proline 0 C--N 1.322 -0.629 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -170.15 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.444 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 31.6 Cg_endo -92.41 -93.6 0.0 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.28 0 C-N-CA 122.337 2.025 . . . . 0.0 110.992 165.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -163.64 49.5 0.14 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 175.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.2 t70 . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.917 -173.911 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.921 0 N-CA-C 111.993 -0.443 . . . . 0.0 111.993 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.511 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 16.6 p -79.63 68.56 5.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.379 0.609 . . . . 0.0 110.643 179.234 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.69 150.13 28.17 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.737 -175.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.44 ' SG ' ' HB3' ' A' ' 13' ' ' TYR . 25.6 p -149.52 176.99 10.13 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.509 -0.768 . . . . 0.0 109.026 175.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.5 m -148.47 143.84 26.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.038 0.447 . . . . 0.0 111.42 -178.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 84.9 m -121.87 93.32 3.96 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.568 175.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.61 -96.6 0.58 Allowed Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.755 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -102.59 -21.12 14.22 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.699 0.285 . . . . 0.0 110.618 178.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.0 p -83.49 145.02 29.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.82 0.343 . . . . 0.0 110.984 -173.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.554 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 28.0 mtmt -125.66 146.38 49.75 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.523 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -174.94 -149.83 7.46 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.011 -1.09 . . . . 0.0 113.037 178.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.4 mm -124.74 136.61 60.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 -173.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.571 ' CE2' ' HB2' ' A' ' 34' ' ' LEU . 20.9 p90 -99.24 141.21 32.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.317 0.579 . . . . 0.0 109.947 177.451 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.566 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 42.5 m95 -105.39 151.4 24.25 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 114.921 -1.036 . . . . 0.0 108.778 -178.48 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -79.89 93.28 5.63 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 120.923 0.392 . . . . 0.0 111.064 -175.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.604 ' H ' ' HA3' ' A' ' 35' ' ' GLY . 75.0 m-85 58.73 74.46 0.44 Allowed 'General case' 0 C--O 1.248 1.009 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.772 177.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.566 ' HD2' ' HB3' ' A' ' 14' ' ' TRP . 53.2 mtt180 -137.78 80.88 29.89 Favored Pre-proline 0 N--CA 1.452 -0.367 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.975 177.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.47 -17.68 35.36 Favored 'Trans proline' 0 C--O 1.25 1.097 0 C-N-CA 123.421 2.748 . . . . 0.0 112.742 -175.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.5 m -113.74 88.11 2.77 Favored 'General case' 0 N--CA 1.449 -0.519 0 O-C-N 124.116 0.885 . . . . 0.0 109.05 177.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.4 t -79.1 135.8 58.05 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.914 -174.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -69.55 90.24 0.5 Allowed 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 123.008 2.472 . . . . 0.0 110.954 176.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.441 ' HA ' ' HD2' ' A' ' 26' ' ' TYR . 12.5 t -78.7 13.0 1.81 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.784 -169.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.458 ' HB2' HH11 ' A' ' 24' ' ' ARG . 4.2 m-20 -76.35 -7.89 55.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.196 0.522 . . . . 0.0 110.446 -177.065 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.458 HH11 ' HB2' ' A' ' 23' ' ' ASP . 7.3 mpt_? -88.47 4.02 48.03 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.932 178.217 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.515 ' O ' ' HB3' ' A' ' 40' ' ' PRO . . . 85.27 26.49 36.34 Favored Glycine 0 C--O 1.248 0.987 0 C-N-CA 120.914 -0.66 . . . . 0.0 111.973 -179.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.447 ' HD1' ' HD3' ' A' ' 40' ' ' PRO . 35.6 m-85 -65.7 131.94 47.55 Favored 'General case' 0 C--N 1.348 0.523 0 O-C-N 123.999 0.47 . . . . 0.0 110.72 -178.359 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.5 m -96.04 -50.03 5.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.827 -177.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -112.77 162.05 12.49 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 120.854 -0.688 . . . . 0.0 112.562 -178.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.7 m -143.38 82.39 1.74 Allowed 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 177.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 23.4 m -93.71 158.65 15.57 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.469 -175.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -80.04 120.86 24.77 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.021 0.439 . . . . 0.0 109.843 174.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.509 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 42.0 t80 -107.49 154.28 21.6 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 176.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.49 ' HB2' HD22 ' A' ' 34' ' ' LEU . 75.9 m-85 -47.09 -46.25 22.58 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.738 0.304 . . . . 0.0 111.761 -176.786 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.571 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 2.4 mm? -93.23 -4.25 52.29 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.519 0.563 . . . . 0.0 112.519 -175.225 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.604 ' HA3' ' H ' ' A' ' 16' ' ' TYR . . . 165.92 -130.45 2.15 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 119.229 -1.462 . . . . 0.0 114.12 178.028 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.3 m -115.55 116.67 28.55 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 120.85 0.357 . . . . 0.0 110.521 -172.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.509 ' HB2' ' HB2' ' A' ' 32' ' ' TYR . 35.5 t -87.56 112.12 21.93 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 -176.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 60.0 m -102.92 110.89 22.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.015 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.523 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 29.3 p -118.82 112.07 36.99 Favored Pre-proline 0 C--N 1.325 -0.496 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -172.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.554 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 20.7 Cg_endo -90.1 -95.14 0.0 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.284 0 C-N-CA 122.503 2.136 . . . . 0.0 110.748 161.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -154.6 40.91 0.46 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.33 0.586 . . . . 0.0 109.908 176.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.3 t70 . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.431 -0.795 . . . . 0.0 110.619 -173.298 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.799 0 N-CA-C 112.314 -0.314 . . . . 0.0 112.314 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.476 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 1.2 p -82.9 83.6 7.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.128 0.489 . . . . 0.0 110.741 176.517 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' A' ' 11' ' ' GLY . . . -83.35 140.86 32.18 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.576 -174.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.617 ' SG ' ' HB3' ' A' ' 13' ' ' TYR . 29.4 p -142.96 163.52 32.55 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.219 175.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m -126.89 131.4 51.16 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.38 0.61 . . . . 0.0 111.862 -176.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 72.3 m -116.17 86.23 2.45 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.09 174.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.74 -104.52 0.66 Allowed Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.957 -0.64 . . . . 0.0 112.301 -178.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -91.04 -26.55 19.13 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.85 0.357 . . . . 0.0 110.837 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.1 p -86.68 125.99 34.24 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.896 0.379 . . . . 0.0 110.827 -177.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.438 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 61.6 mttm -123.84 135.69 53.91 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 -177.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.475 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -168.83 -145.22 4.51 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 119.83 -1.176 . . . . 0.0 113.389 -177.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.1 mm -120.82 135.18 61.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 -173.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.617 ' HB3' ' SG ' ' A' ' 4' ' ' CYS . 11.8 p90 -103.6 140.82 37.04 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.241 0.543 . . . . 0.0 110.079 177.06 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.494 ' O ' ' HA3' ' A' ' 35' ' ' GLY . 33.8 m95 -110.31 139.61 45.32 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.402 -174.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -77.16 107.66 9.7 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.902 0.382 . . . . 0.0 111.217 -170.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 53.35 39.28 29.61 Favored 'General case' 0 C--O 1.247 0.954 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.364 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.418 ' HD3' ' HB3' ' A' ' 14' ' ' TRP . 36.7 mtp180 -121.78 91.68 48.68 Favored Pre-proline 0 C--N 1.344 0.342 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.051 178.103 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -84.34 56.92 5.06 Favored 'Trans proline' 0 C--O 1.251 1.166 0 C-N-CA 122.972 2.448 . . . . 0.0 112.134 -179.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.0 m -152.77 79.69 1.21 Allowed 'General case' 0 C--N 1.345 0.404 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.138 179.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 85.8 m -72.29 116.24 47.08 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.509 -178.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.563 ' HD2' ' CE2' ' A' ' 26' ' ' TYR . 53.4 Cg_exo -54.7 122.71 12.11 Favored 'Trans proline' 0 C--O 1.24 0.614 0 C-N-CA 123.478 2.785 . . . . 0.0 113.007 177.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.5 t -79.59 -18.56 51.37 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.252 -178.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -79.3 -18.74 52.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.122 0.487 . . . . 0.0 109.93 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -80.67 -8.97 59.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.227 175.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.493 ' O ' ' HB3' ' A' ' 40' ' ' PRO . . . 79.61 21.16 67.12 Favored Glycine 0 C--O 1.248 1.013 0 CA-C-N 115.579 -0.737 . . . . 0.0 112.763 178.62 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.563 ' CE2' ' HD2' ' A' ' 21' ' ' PRO . 19.7 m-85 -63.64 127.56 31.91 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 123.778 0.34 . . . . 0.0 110.624 -179.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.5 m -94.39 -43.93 8.15 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.008 0.432 . . . . 0.0 110.984 -174.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -118.18 168.52 13.13 Favored Glycine 0 N--CA 1.442 -0.907 0 C-N-CA 120.873 -0.68 . . . . 0.0 112.303 179.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.1 m -144.04 78.19 1.58 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.188 0.518 . . . . 0.0 109.65 -178.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.529 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 3.7 m -81.14 148.46 29.58 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.971 -176.109 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.437 HH11 ' HD3' ' A' ' 31' ' ' ARG . 4.1 tpt180 -85.62 111.46 20.09 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.021 -0.671 . . . . 0.0 110.037 174.248 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -101.19 159.08 15.55 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.633 ' HB3' HD22 ' A' ' 34' ' ' LEU . 32.8 t80 -47.1 -45.06 21.87 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -174.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.633 HD22 ' HB3' ' A' ' 33' ' ' PHE . 2.8 mm? -101.45 1.98 38.84 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -174.117 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.494 ' HA3' ' O ' ' A' ' 14' ' ' TRP . . . 165.88 -143.86 8.75 Favored Glycine 0 C--O 1.224 -0.531 0 C-N-CA 119.05 -1.547 . . . . 0.0 113.756 179.201 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.423 ' O ' ' HA ' ' A' ' 13' ' ' TYR . 6.5 m -113.16 120.77 42.4 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.793 0.33 . . . . 0.0 110.958 -174.468 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.529 ' HB2' ' HB2' ' A' ' 30' ' ' CYS . 1.3 m -79.68 95.11 5.85 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.634 177.513 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.504 ' HB3' ' CG ' ' A' ' 26' ' ' TYR . 58.8 m -82.62 97.27 8.41 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 176.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.475 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 2.0 p -111.5 110.18 55.61 Favored Pre-proline 0 C--N 1.322 -0.628 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 -168.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.493 ' HB3' ' O ' ' A' ' 25' ' ' GLY . 59.0 Cg_endo -97.97 -97.85 0.0 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.299 0 C-N-CA 122.935 2.423 . . . . 0.0 111.271 166.283 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -169.59 38.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 176.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.2 t70 . . . . . 0 C--O 1.247 0.97 0 CA-C-N 114.933 -1.03 . . . . 0.0 110.791 -168.642 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.893 0 N-CA-C 111.695 -0.562 . . . . 0.0 111.695 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.1 p -79.38 78.06 5.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.429 0.633 . . . . 0.0 110.117 176.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.479 ' HA ' ' O ' ' A' ' 11' ' ' GLY . . . -71.45 142.32 50.24 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.051 -0.977 . . . . 0.0 112.519 -172.044 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.644 ' SG ' ' HB3' ' A' ' 13' ' ' TYR . 28.3 p -149.33 157.84 43.67 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 173.59 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.0 t -129.51 141.41 51.0 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.343 0.592 . . . . 0.0 111.559 -176.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 77.3 m -116.81 90.54 3.36 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.458 175.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.44 -100.65 0.49 Allowed Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.264 -178.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -91.04 -32.75 15.78 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.889 0.376 . . . . 0.0 110.5 177.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.9 m -79.22 143.75 35.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.679 -173.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.518 ' HG2' ' HA ' ' A' ' 41' ' ' ALA . 13.3 ptmm? -136.9 140.26 42.18 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.697 -0.229 . . . . 0.0 110.481 -178.403 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.479 ' O ' ' HA ' ' A' ' 3' ' ' ALA . . . -169.7 -140.16 2.91 Favored Glycine 0 N--CA 1.445 -0.752 0 C-N-CA 120.142 -1.028 . . . . 0.0 112.795 -178.409 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.5 mm -125.96 134.91 65.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 -173.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.644 ' HB3' ' SG ' ' A' ' 4' ' ' CYS . 3.7 p90 -96.76 133.4 41.38 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 121.436 0.636 . . . . 0.0 110.083 175.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.494 ' O ' ' HA3' ' A' ' 35' ' ' GLY . 13.5 m95 -101.79 143.0 32.26 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 114.895 -1.048 . . . . 0.0 109.51 -175.483 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -79.31 108.56 12.91 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-O 120.828 0.347 . . . . 0.0 111.522 -174.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 53.38 67.57 0.98 Allowed 'General case' 0 C--O 1.252 1.212 0 CA-C-N 115.078 -0.965 . . . . 0.0 112.699 175.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.4 mmt180 -109.98 118.46 49.75 Favored Pre-proline 0 C--N 1.343 0.292 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.235 174.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -58.14 -17.78 33.59 Favored 'Trans proline' 0 C--O 1.251 1.157 0 C-N-CA 123.197 2.598 . . . . 0.0 112.824 -175.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.2 t -160.49 142.13 12.42 Favored 'General case' 0 N--CA 1.449 -0.521 0 O-C-N 124.158 0.911 . . . . 0.0 109.039 178.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 51.1 t -80.42 116.43 61.74 Favored Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 178.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.437 ' HB2' ' OD2' ' A' ' 23' ' ' ASP . 43.2 Cg_endo -71.02 122.75 9.07 Favored 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.54 2.16 . . . . 0.0 111.387 -178.581 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.9 t -81.51 56.04 2.83 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.963 0.887 . . . . 0.0 111.58 -172.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.437 ' OD2' ' HB2' ' A' ' 21' ' ' PRO . 18.4 m-20 -85.57 -45.35 11.84 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.25 177.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.573 ' HB2' ' CZ ' ' A' ' 26' ' ' TYR . 0.7 OUTLIER -101.16 29.93 4.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.476 . . . . 0.0 112.094 -175.09 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 48.56 33.61 12.47 Favored Glycine 0 C--O 1.25 1.156 0 CA-C-O 119.835 -0.425 . . . . 0.0 113.87 174.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.573 ' CZ ' ' HB2' ' A' ' 24' ' ' ARG . 45.7 m-85 -47.65 134.96 12.07 Favored 'General case' 0 C--N 1.345 0.372 0 O-C-N 124.518 0.775 . . . . 0.0 110.976 176.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.5 m -88.69 -50.63 6.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.757 -175.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -118.57 119.24 4.29 Favored Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.402 -178.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.8 m -99.25 90.91 4.73 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 175.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.435 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 56.2 m -94.73 150.23 20.42 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.001 -177.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.413 ' HD2' ' O ' ' A' ' 35' ' ' GLY . 1.1 tmm_? -84.34 99.16 10.44 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 120.203 -0.599 . . . . 0.0 109.637 176.089 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.73 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 33.1 t80 -80.26 161.43 25.14 Favored 'General case' 0 N--CA 1.447 -0.62 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 177.526 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.645 ' HB2' HD22 ' A' ' 34' ' ' LEU . 45.5 m-85 -48.82 -38.68 22.9 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -171.469 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.645 HD22 ' HB2' ' A' ' 33' ' ' PHE . 2.6 mm? -113.97 10.33 17.56 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -175.189 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.494 ' HA3' ' O ' ' A' ' 14' ' ' TRP . . . 165.07 -146.26 11.06 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 118.563 -1.78 . . . . 0.0 114.552 178.166 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.3 m -104.07 108.13 19.35 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 120.968 0.413 . . . . 0.0 111.435 -170.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.73 ' HB2' ' HB2' ' A' ' 32' ' ' TYR . 51.5 t -79.86 94.31 5.8 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.777 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.513 ' HB3' ' CG ' ' A' ' 26' ' ' TYR . 72.5 m -91.57 103.06 15.71 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.104 -178.247 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.449 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 71.2 p -116.86 109.24 43.33 Favored Pre-proline 0 C--N 1.329 -0.313 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -171.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.487 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 16.9 Cg_endo -93.13 -77.49 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.139 0 C-N-CA 122.438 2.092 . . . . 0.0 111.587 165.26 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.518 ' HA ' ' HG2' ' A' ' 10' ' ' LYS . . . -177.89 33.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 -178.423 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 21.4 t70 . . . . . 0 C--O 1.247 0.957 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.424 -172.46 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.57 0 N-CA-C 111.952 -0.459 . . . . 0.0 111.952 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.553 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 5.0 p -80.23 72.5 7.06 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.429 0.633 . . . . 0.0 110.805 178.593 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.96 141.35 57.64 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.397 -177.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 18.6 t -145.53 150.18 35.96 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.718 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.7 m -129.58 138.69 51.43 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.45 0.643 . . . . 0.0 111.698 -177.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 82.6 m -119.25 75.05 1.02 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.844 -1.071 . . . . 0.0 108.569 172.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.62 -101.09 0.36 Allowed Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.246 -177.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -79.61 -37.45 36.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.914 0.388 . . . . 0.0 110.344 178.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.0 t -79.69 137.61 37.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.88 -172.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.473 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 59.8 mttp -137.26 141.08 42.0 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 110.511 -0.181 . . . . 0.0 110.511 -176.152 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.508 ' N ' HG22 ' A' ' 39' ' ' THR . . . -178.14 -139.89 3.62 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.627 -0.797 . . . . 0.0 113.089 -177.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.3 mm -127.1 136.1 61.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.699 0.285 . . . . 0.0 110.629 -171.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.553 ' CE1' ' HB ' ' A' ' 2' ' ' THR . 18.5 p90 -100.74 142.55 32.05 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.092 -0.643 . . . . 0.0 109.979 176.115 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.467 ' O ' ' HA3' ' A' ' 35' ' ' GLY . 74.8 m95 -108.78 138.13 45.61 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.935 -175.384 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -77.09 118.38 19.58 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.132 0.491 . . . . 0.0 111.74 -173.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 52.11 31.53 9.07 Favored 'General case' 0 C--O 1.25 1.121 0 CA-C-N 114.715 -1.13 . . . . 0.0 113.84 173.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 74.2 mtt180 -96.79 100.64 7.65 Favored Pre-proline 0 C--N 1.341 0.235 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 167.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -65.09 -10.46 25.72 Favored 'Trans proline' 0 C--O 1.25 1.08 0 C-N-CA 122.732 2.288 . . . . 0.0 112.437 -176.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.2 t -117.16 115.1 24.68 Favored 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 124.087 0.867 . . . . 0.0 109.631 179.045 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.529 ' HB2' HG21 ' A' ' 36' ' ' THR . 42.1 t -71.18 125.52 91.93 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-O 120.747 0.308 . . . . 0.0 110.571 179.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 20' ' ' CYS . 8.7 Cg_exo -71.84 67.5 3.12 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.863 2.375 . . . . 0.0 111.441 176.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.6 t -76.99 8.28 3.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.812 0.815 . . . . 0.0 110.702 -175.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -78.38 -17.51 56.36 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.116 -0.947 . . . . 0.0 109.175 173.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.4 mtp180 -94.33 30.26 2.0 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.259 -178.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.63 -9.79 64.06 Favored Glycine 0 C--O 1.25 1.132 0 C-N-CA 120.998 -0.62 . . . . 0.0 114.04 172.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.511 ' HD1' ' HD3' ' A' ' 40' ' ' PRO . 30.5 m-85 -57.28 130.77 47.7 Favored 'General case' 0 C--N 1.346 0.437 0 O-C-N 123.743 0.319 . . . . 0.0 110.291 178.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.662 HG22 ' HA ' ' A' ' 40' ' ' PRO . 15.2 t -101.88 -33.81 9.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.14 0.495 . . . . 0.0 110.696 -174.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -110.55 150.4 17.66 Favored Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 111.69 -0.564 . . . . 0.0 111.69 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.4 m -134.95 82.73 1.98 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.335 0.588 . . . . 0.0 110.338 -177.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 11.3 m -92.26 164.83 13.39 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 -100.35 127.79 46.57 Favored 'General case' 0 C--N 1.319 -0.758 0 C-N-CA 119.602 -0.839 . . . . 0.0 110.356 172.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -96.06 154.58 17.16 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 172.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.603 ' HB3' HD22 ' A' ' 34' ' ' LEU . 38.6 t80 -52.16 -30.63 27.69 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 118.627 0.649 . . . . 0.0 111.927 -174.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.603 HD22 ' HB3' ' A' ' 33' ' ' PHE . 2.6 mm? -108.11 0.48 21.66 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 112.481 0.548 . . . . 0.0 112.481 -173.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.467 ' HA3' ' O ' ' A' ' 14' ' ' TRP . . . 172.56 -156.3 24.85 Favored Glycine 0 C--O 1.224 -0.52 0 C-N-CA 119.621 -1.276 . . . . 0.0 113.117 178.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.529 HG21 ' HB2' ' A' ' 20' ' ' CYS . 73.8 m -100.04 122.83 43.52 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.228 0.537 . . . . 0.0 110.836 -178.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 44.7 t -87.37 99.95 12.37 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.089 -178.635 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.452 ' HB3' ' CG ' ' A' ' 26' ' ' TYR . 72.7 m -96.95 110.28 22.84 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.041 -178.61 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.508 HG22 ' N ' ' A' ' 11' ' ' GLY . 21.6 p -121.14 120.87 28.96 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.371 -171.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.662 ' HA ' HG22 ' A' ' 27' ' ' THR . 54.0 Cg_endo -99.11 -94.55 0.0 OUTLIER 'Trans proline' 0 N--CA 1.443 -1.468 0 C-N-CA 122.894 2.396 . . . . 0.0 110.919 163.268 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -151.4 48.46 0.82 Allowed 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 173.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.486 ' HB3' ' HA2' ' A' ' 11' ' ' GLY . 17.0 t70 . . . . . 0 C--O 1.246 0.906 0 CA-C-O 118.443 -0.789 . . . . 0.0 110.178 -173.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.631 0 CA-C-O 120.205 -0.219 . . . . 0.0 112.746 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.593 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 6.6 p -79.93 93.84 5.76 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 121.565 0.698 . . . . 0.0 109.842 175.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.11 132.06 45.98 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 114.829 -1.078 . . . . 0.0 112.996 -167.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.4 ' SG ' ' HD2' ' A' ' 32' ' ' TYR . 43.4 t -138.64 153.75 48.62 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 114.823 -1.081 . . . . 0.0 108.959 171.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 m -142.88 134.83 27.0 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.03 0.443 . . . . 0.0 111.107 -178.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 61.7 m -129.43 81.94 2.05 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.364 177.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.64 -105.46 1.24 Allowed Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.555 178.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -87.97 -15.13 37.36 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.193 0.52 . . . . 0.0 110.345 -177.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.1 m -100.93 138.88 37.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.044 -177.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.505 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -124.48 147.04 48.61 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 178.14 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.506 ' HA2' ' O ' ' A' ' 42' ' ' ASP . . . -173.79 -150.63 7.69 Favored Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 119.44 -1.362 . . . . 0.0 114.169 -178.132 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 47.7 mm -123.82 138.41 53.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 114.921 -0.64 . . . . 0.0 110.292 -169.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.593 ' CE1' ' HB ' ' A' ' 2' ' ' THR . 12.2 p90 -104.89 140.54 37.99 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.223 -0.591 . . . . 0.0 110.444 177.286 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 26.7 m95 -102.24 139.76 37.42 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.827 -177.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.424 ' CE2' HG21 ' A' ' 2' ' ' THR . 93.0 m-85 -78.61 112.23 15.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.656 -172.104 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 51.7 p90 43.11 25.69 0.06 Allowed 'General case' 0 C--O 1.247 0.964 0 C-N-CA 124.879 1.272 . . . . 0.0 113.784 178.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 17' ' ' ARG . 27.0 mtp85 -100.53 116.11 64.65 Favored Pre-proline 0 N--CA 1.45 -0.462 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.075 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -83.49 34.51 0.54 Allowed 'Trans proline' 0 C--O 1.25 1.076 0 C-N-CA 123.352 2.701 . . . . 0.0 111.269 174.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.4 p -136.33 97.16 3.52 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.428 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 47.6 t -106.51 108.48 61.91 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.541 178.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_endo -80.63 146.43 16.9 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 122.583 2.188 . . . . 0.0 113.012 -175.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.8 t -79.31 53.52 1.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 122.393 1.092 . . . . 0.0 109.456 177.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -102.03 -44.47 5.46 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.047 -0.979 . . . . 0.0 111.511 -176.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.472 ' HB2' ' CZ ' ' A' ' 26' ' ' TYR . 22.8 mmm180 -95.8 28.47 3.06 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.469 -173.566 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 55.18 25.2 38.82 Favored Glycine 0 C--O 1.248 1.0 0 C-N-CA 121.104 -0.569 . . . . 0.0 113.128 177.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.472 ' CZ ' ' HB2' ' A' ' 24' ' ' ARG . 34.7 m-85 -48.47 127.76 13.69 Favored 'General case' 0 C--N 1.348 0.501 0 O-C-N 124.49 0.759 . . . . 0.0 111.129 177.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.477 HG22 ' HA ' ' A' ' 40' ' ' PRO . 14.9 t -108.73 -20.14 13.18 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.002 0.429 . . . . 0.0 110.551 -177.708 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -139.96 168.09 25.17 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.961 -0.638 . . . . 0.0 111.923 179.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.0 t -142.22 137.31 30.67 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.068 0.461 . . . . 0.0 110.046 179.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 60.6 m -136.92 177.44 7.85 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.74 -178.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.437 HH11 ' HD3' ' A' ' 31' ' ' ARG . 8.9 tpt180 -102.57 133.79 46.97 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 176.065 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.4 ' HD2' ' SG ' ' A' ' 4' ' ' CYS . 7.4 t80 -119.48 154.54 33.61 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 177.404 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.602 ' HB2' HD22 ' A' ' 34' ' ' LEU . 40.4 m-85 -45.04 -44.15 9.92 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -175.032 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.602 HD22 ' HB2' ' A' ' 33' ' ' PHE . 2.6 mm? -94.65 -10.38 32.02 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 -173.591 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.43 -133.97 3.06 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 119.176 -1.488 . . . . 0.0 113.714 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 17.7 m -95.48 136.54 35.73 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.616 0.246 . . . . 0.0 110.629 -171.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 18.1 t -106.44 129.25 54.45 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 120.832 0.349 . . . . 0.0 110.094 176.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 81.5 m -124.18 118.29 26.53 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 178.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.498 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 3.2 p -121.51 116.55 30.62 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 113.08 0.771 . . . . 0.0 113.08 -172.053 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.505 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 72.7 Cg_endo -98.79 -102.0 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 123.309 2.673 . . . . 0.0 110.852 162.682 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -135.58 5.46 3.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.237 0.541 . . . . 0.0 110.331 172.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.506 ' O ' ' HA2' ' A' ' 11' ' ' GLY . 11.3 m-20 . . . . . 0 C--O 1.243 0.721 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.248 -174.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.711 0 N-CA-C 111.506 -0.638 . . . . 0.0 111.506 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.1 p -79.71 52.22 1.41 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.33 0.586 . . . . 0.0 110.854 -177.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -89.26 143.96 26.45 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.653 -177.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 11.6 p -138.96 152.89 48.06 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.635 178.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m -118.5 135.62 54.28 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.998 0.428 . . . . 0.0 110.949 -177.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 95.4 m -129.68 79.95 1.93 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.037 177.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.53 -105.45 1.6 Allowed Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.477 177.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -93.79 -10.36 34.44 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.839 0.352 . . . . 0.0 110.728 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.9 m -105.79 125.05 50.53 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.568 -175.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.589 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 37.6 tttm -114.84 138.77 50.38 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 176.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.534 ' N ' HG22 ' A' ' 39' ' ' THR . . . -165.59 -147.56 5.2 Favored Glycine 0 N--CA 1.442 -0.903 0 C-N-CA 120.304 -0.95 . . . . 0.0 112.773 -179.237 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.6 mm -129.15 136.87 58.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 -171.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.633 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 9.7 p90 -91.82 135.34 33.99 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 120.041 -0.664 . . . . 0.0 109.235 175.338 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.726 ' HB3' ' HG3' ' A' ' 17' ' ' ARG . 38.7 m95 -110.77 142.74 42.33 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.395 -0.821 . . . . 0.0 109.866 -176.2 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -79.46 112.89 17.15 Favored 'General case' 0 C--N 1.317 -0.835 0 C-N-CA 120.877 -0.329 . . . . 0.0 110.87 -178.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 57.85 61.52 2.37 Favored 'General case' 0 C--O 1.249 1.049 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.71 173.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.726 ' HG3' ' HB3' ' A' ' 14' ' ' TRP . 16.9 mmt180 -121.3 109.98 34.62 Favored Pre-proline 0 C--N 1.347 0.493 0 O-C-N 123.272 0.358 . . . . 0.0 110.426 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 17' ' ' ARG . 12.0 Cg_exo -71.18 -1.87 10.26 Favored 'Trans proline' 0 C--O 1.25 1.124 0 C-N-CA 123.177 2.585 . . . . 0.0 113.097 -176.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.2 m -154.32 141.1 19.09 Favored 'General case' 0 C--N 1.342 0.279 0 O-C-N 123.627 0.58 . . . . 0.0 110.301 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 98.9 m -89.8 127.17 55.15 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.302 178.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -47.11 109.88 0.25 Allowed 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 123.181 2.587 . . . . 0.0 112.426 177.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.7 t -79.23 -9.13 59.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.773 -174.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.6 p-10 -79.98 -25.1 40.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.807 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 24' ' ' ARG . 44.7 mtp85 -92.29 -1.89 56.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.199 0.523 . . . . 0.0 109.776 172.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.525 ' O ' ' HB3' ' A' ' 40' ' ' PRO . . . 73.18 27.14 68.89 Favored Glycine 0 C--O 1.247 0.938 0 CA-C-N 115.415 -0.811 . . . . 0.0 113.89 174.079 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.615 ' HD1' ' HD3' ' A' ' 40' ' ' PRO . 64.3 m-85 -56.94 120.55 8.15 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 177.565 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.9 m -96.06 -40.89 9.01 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.013 0.435 . . . . 0.0 111.22 -170.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -109.99 159.66 13.81 Favored Glycine 0 N--CA 1.443 -0.85 0 C-N-CA 121.036 -0.602 . . . . 0.0 112.245 -176.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.6 m -135.88 92.41 2.81 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.128 0.489 . . . . 0.0 109.896 178.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.48 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 36.4 m -92.33 138.06 31.84 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 178.488 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.79 96.65 6.35 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.372 0.606 . . . . 0.0 109.837 -178.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.588 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 33.9 t80 -84.4 150.53 25.27 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.167 -178.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.518 ' HB3' HD22 ' A' ' 34' ' ' LEU . 33.5 t80 -47.51 -43.06 24.37 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.774 0.321 . . . . 0.0 111.636 -174.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.518 HD22 ' HB3' ' A' ' 33' ' ' PHE . 2.4 mm? -95.56 -7.23 38.47 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 -174.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 167.3 -148.28 12.9 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 119.13 -1.51 . . . . 0.0 114.031 178.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.1 m -95.34 107.68 19.82 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.337 -0.431 . . . . 0.0 110.929 -173.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.633 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 27.5 t -79.89 95.98 6.23 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.192 0.52 . . . . 0.0 109.898 178.275 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.435 ' HB3' ' HB3' ' A' ' 26' ' ' TYR . 63.7 m -91.41 114.95 27.61 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.765 -178.181 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.534 HG22 ' N ' ' A' ' 11' ' ' GLY . 2.2 p -121.65 114.29 31.46 Favored Pre-proline 0 C--N 1.322 -0.592 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -172.32 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.615 ' HD3' ' HD1' ' A' ' 26' ' ' TYR . 74.2 Cg_endo -102.87 -100.84 0.0 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.28 0 C-N-CA 123.293 2.662 . . . . 0.0 111.423 164.439 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -147.35 38.78 0.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 175.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 33.0 t70 . . . . . 0 C--O 1.245 0.829 0 CA-C-N 114.356 -1.293 . . . . 0.0 110.056 -170.533 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.747 0 N-CA-C 111.781 -0.527 . . . . 0.0 111.781 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.498 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 24.8 p -81.9 59.87 4.5 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.505 0.669 . . . . 0.0 110.732 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.43 116.79 19.87 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.076 -0.966 . . . . 0.0 111.137 -177.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.436 ' SG ' ' HB3' ' A' ' 13' ' ' TYR . 6.1 p -117.52 167.73 11.03 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.933 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 p -138.49 127.4 23.84 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.277 0.561 . . . . 0.0 112.205 -177.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 72.4 m -106.77 90.88 3.45 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 172.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.97 -102.63 1.09 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.708 -0.758 . . . . 0.0 111.724 -177.154 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -107.68 -0.88 21.56 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.862 0.363 . . . . 0.0 110.48 178.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.9 m -93.24 122.91 36.11 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.195 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.437 ' HE3' ' HB2' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -110.42 126.86 54.75 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.661 ' CA ' ' HD2' ' A' ' 40' ' ' PRO . . . -152.13 -155.81 7.21 Favored Glycine 0 N--CA 1.443 -0.862 0 C-N-CA 120.308 -0.948 . . . . 0.0 113.22 -176.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 17.7 mm -125.38 132.6 70.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 -172.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.547 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 19.5 p90 -102.6 140.28 37.09 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 119.966 -0.694 . . . . 0.0 110.846 178.093 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.53 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 57.3 m95 -104.64 142.15 35.17 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.616 -177.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -78.62 124.74 28.49 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -170.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 45.1 p90 45.38 25.42 0.22 Allowed 'General case' 0 C--O 1.25 1.115 0 C-N-CA 125.321 1.448 . . . . 0.0 114.271 177.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.53 ' HD2' ' HB3' ' A' ' 14' ' ' TRP . 55.5 mtt180 -89.58 117.1 67.86 Favored Pre-proline 0 C--N 1.342 0.246 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 175.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -82.69 27.02 0.62 Allowed 'Trans proline' 0 C--O 1.25 1.124 0 C-N-CA 122.978 2.452 . . . . 0.0 112.754 -176.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.6 t -159.01 153.98 25.03 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 178.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 52.6 t -108.38 115.64 57.72 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-O 120.705 0.288 . . . . 0.0 110.228 -178.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -77.87 81.14 2.77 Favored 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 122.839 2.359 . . . . 0.0 110.836 178.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.0 t -97.28 86.01 3.81 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-O 122.321 1.057 . . . . 0.0 112.506 -173.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -116.26 0.83 12.99 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 164.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -95.61 -11.74 26.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.315 -1.311 . . . . 0.0 110.629 -176.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.95 52.74 1.88 Allowed Glycine 0 C--O 1.247 0.96 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.758 -177.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.626 ' CG ' ' HB3' ' A' ' 38' ' ' CYS . 30.6 m-85 -88.3 115.73 26.0 Favored 'General case' 0 C--N 1.343 0.292 0 O-C-N 123.822 0.366 . . . . 0.0 110.136 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.3 m -82.0 -46.0 14.57 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.111 0.481 . . . . 0.0 110.258 -176.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -112.39 160.69 13.02 Favored Glycine 0 N--CA 1.442 -0.902 0 C-N-CA 120.653 -0.785 . . . . 0.0 112.147 -179.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.0 m -144.61 81.53 1.66 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.47 0.652 . . . . 0.0 110.024 176.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.475 ' O ' ' HB3' ' A' ' 37' ' ' CYS . 2.0 m -97.07 142.6 28.81 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 -177.61 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -79.73 120.87 24.62 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 118.708 -1.197 . . . . 0.0 110.805 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.477 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 15.7 t80 -90.69 164.25 14.21 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.848 -1.069 . . . . 0.0 108.214 175.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -44.88 -38.79 4.86 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -174.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.41 HD22 ' N ' ' A' ' 34' ' ' LEU . 3.4 mm? -114.48 11.87 17.25 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.932 0.715 . . . . 0.0 112.932 -173.22 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.472 ' HA3' ' O ' ' A' ' 14' ' ' TRP . . . 164.25 -163.23 35.92 Favored Glycine 0 C--O 1.223 -0.555 0 C-N-CA 119.194 -1.479 . . . . 0.0 113.329 178.273 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 63.8 m -95.21 117.8 30.88 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.076 0.465 . . . . 0.0 110.808 -176.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.547 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 32.4 t -87.15 105.97 17.56 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.721 -178.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.626 ' HB3' ' CG ' ' A' ' 26' ' ' TYR . 80.2 m -90.48 111.41 22.67 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.112 177.478 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.542 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 0.5 OUTLIER -110.0 113.94 56.61 Favored Pre-proline 0 N--CA 1.447 -0.619 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 -171.779 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.661 ' HD2' ' CA ' ' A' ' 11' ' ' GLY . 90.0 Cg_endo -90.71 -150.86 0.04 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.282 0 C-N-CA 122.995 2.463 . . . . 0.0 109.297 159.071 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -130.41 70.39 1.45 Allowed 'General case' 0 C--N 1.313 -0.992 0 CA-C-O 120.769 0.318 . . . . 0.0 110.42 179.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 35.9 t70 . . . . . 0 C--O 1.247 0.959 0 CA-C-O 118.706 -0.664 . . . . 0.0 110.3 178.029 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.713 0 N-CA-C 111.917 -0.473 . . . . 0.0 111.917 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.499 ' HB ' ' CE2' ' A' ' 13' ' ' TYR . 30.3 p -84.41 60.37 5.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.457 0.646 . . . . 0.0 110.265 178.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -80.99 130.23 34.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.639 -174.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.409 ' SG ' ' HB3' ' A' ' 13' ' ' TYR . 14.1 p -129.21 154.36 46.85 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.578 176.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.3 p -137.12 126.22 24.48 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.42 0.629 . . . . 0.0 112.199 -177.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 58.8 m -111.47 96.63 6.22 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.113 -0.949 . . . . 0.0 108.878 174.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.66 -113.75 5.24 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.609 -177.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.3 p-10 -95.51 -10.8 28.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.005 0.431 . . . . 0.0 110.168 177.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.41 ' HA ' ' O ' ' A' ' 40' ' ' PRO . 19.3 m -88.87 110.07 20.75 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.884 -176.324 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.541 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 17.3 ptpt -122.1 129.41 52.34 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.984 0.421 . . . . 0.0 111.126 -177.028 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.427 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -157.48 -140.02 2.84 Favored Glycine 0 N--CA 1.441 -0.974 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.304 -177.242 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.2 mm -127.78 136.79 59.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 -173.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.605 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 7.0 p90 -96.52 132.05 42.51 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 119.771 -0.772 . . . . 0.0 109.459 173.388 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.723 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 46.5 m95 -107.24 145.48 32.62 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.274 -175.627 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -77.75 108.51 11.02 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.785 0.326 . . . . 0.0 111.123 -173.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 51.99 60.24 3.98 Favored 'General case' 0 C--O 1.246 0.918 0 CA-C-N 115.085 -0.961 . . . . 0.0 112.012 175.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.723 ' HD2' ' HB3' ' A' ' 14' ' ' TRP . 65.4 mtt85 -130.75 89.1 44.32 Favored Pre-proline 0 C--N 1.343 0.304 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.186 -178.42 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_exo -72.26 3.08 4.35 Favored 'Trans proline' 0 C--O 1.248 1.02 0 C-N-CA 123.071 2.514 . . . . 0.0 111.606 176.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.7 m -107.2 81.95 1.61 Allowed 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.279 173.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.459 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 49.6 t -78.66 117.04 64.22 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.445 -179.29 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 20' ' ' CYS . 19.8 Cg_exo -64.47 124.37 13.2 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 123.008 2.472 . . . . 0.0 112.762 -174.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -79.57 25.39 0.33 Allowed 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 121.678 0.752 . . . . 0.0 111.097 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.4 ' H ' ' C ' ' A' ' 21' ' ' PRO . 10.4 t70 -94.61 -26.15 16.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.91 -177.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.511 ' HB2' ' CE2' ' A' ' 26' ' ' TYR . 22.5 mmm180 -99.79 17.09 21.6 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.009 -0.541 . . . . 0.0 112.209 -170.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 56.08 23.87 41.09 Favored Glycine 0 C--O 1.251 1.175 0 C-N-CA 121.243 -0.503 . . . . 0.0 113.613 175.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.511 ' CE2' ' HB2' ' A' ' 24' ' ' ARG . 43.0 m-85 -47.99 127.17 11.83 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 124.273 0.631 . . . . 0.0 111.416 179.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.478 ' H ' ' HA ' ' A' ' 40' ' ' PRO . 27.2 m -88.83 -37.73 15.15 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.383 -177.322 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -139.92 174.79 22.22 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 121.044 -0.598 . . . . 0.0 112.057 178.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.2 t -141.74 111.41 6.59 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.344 0.592 . . . . 0.0 109.773 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 56.5 m -105.25 144.57 31.86 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.55 -178.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 31' ' ' ARG . 8.7 tpt180 -80.54 114.75 19.66 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.056 -0.657 . . . . 0.0 110.295 176.639 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -98.87 150.46 21.87 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 174.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -59.61 -15.06 16.21 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.59 0.589 . . . . 0.0 112.59 -173.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.414 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 2.7 mm? -111.69 -9.25 14.14 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.436 ' HA3' ' O ' ' A' ' 14' ' ' TRP . . . 166.11 -145.91 10.5 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 119.593 -1.289 . . . . 0.0 113.941 179.094 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.411 ' O ' ' HA ' ' A' ' 13' ' ' TYR . 2.8 m -100.13 109.75 22.03 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.742 0.306 . . . . 0.0 110.95 -172.376 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.605 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 19.9 t -84.1 90.81 7.53 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.267 0.556 . . . . 0.0 109.844 178.614 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.464 ' HB3' ' CG ' ' A' ' 26' ' ' TYR . 97.2 m -87.33 115.74 24.95 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.641 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.427 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 11.5 p -123.01 112.59 30.24 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 112.864 0.69 . . . . 0.0 112.864 -170.5 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.541 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 31.5 Cg_endo -94.75 -83.51 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.251 0 C-N-CA 122.736 2.291 . . . . 0.0 111.874 165.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.502 ' HA ' ' HG2' ' A' ' 10' ' ' LYS . . . 169.34 35.71 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 124.268 1.027 . . . . 0.0 108.519 -176.759 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.7 t70 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.58 -0.724 . . . . 0.0 110.419 -169.516 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.612 0 N-CA-C 112.013 -0.435 . . . . 0.0 112.013 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.601 ' HB ' ' CE2' ' A' ' 13' ' ' TYR . 14.7 p -82.24 76.34 9.13 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.344 0.593 . . . . 0.0 110.91 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -64.93 141.64 58.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.614 -175.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 41.3 t -147.0 157.31 43.58 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.383 -179.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 p -142.09 136.21 29.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.83 0.348 . . . . 0.0 111.556 -174.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 92.3 m -137.16 96.68 3.33 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.313 176.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.2 -112.02 3.73 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.877 -0.678 . . . . 0.0 111.834 178.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.8 p-10 -94.69 -13.07 26.14 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.18 0.514 . . . . 0.0 109.862 176.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.9 m -84.88 134.36 34.28 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.612 -173.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.544 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 19.7 ptpt -127.27 130.62 49.91 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.686 178.424 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.453 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -164.86 -141.52 3.15 Favored Glycine 0 N--CA 1.443 -0.851 0 C-N-CA 119.652 -1.261 . . . . 0.0 113.299 -176.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.4 mm -129.73 139.16 52.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -172.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.679 ' HE1' ' HB2' ' A' ' 34' ' ' LEU . 13.1 p90 -99.0 135.04 40.97 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 119.904 -0.718 . . . . 0.0 109.678 175.561 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 11.6 m95 -100.38 148.93 24.17 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.091 -0.959 . . . . 0.0 108.822 -176.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -79.3 84.33 5.24 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.271 0.557 . . . . 0.0 111.388 -174.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.714 ' H ' ' HA3' ' A' ' 35' ' ' GLY . 58.2 m-85 56.83 81.32 0.14 Allowed 'General case' 0 C--O 1.248 1.012 0 CA-C-N 114.714 -1.13 . . . . 0.0 111.887 178.39 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.426 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 12.3 mtp180 -144.83 93.76 5.56 Favored Pre-proline 0 N--CA 1.451 -0.391 0 CA-C-N 115.136 -0.938 . . . . 0.0 111.232 179.283 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 17' ' ' ARG . 20.1 Cg_endo -61.84 -12.82 27.36 Favored 'Trans proline' 0 C--O 1.251 1.169 0 C-N-CA 122.417 2.078 . . . . 0.0 111.461 174.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.6 m -99.96 65.99 1.33 Allowed 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 114.781 -1.099 . . . . 0.0 109.39 178.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.419 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 47.9 t -92.51 117.2 67.52 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.643 -179.346 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 20' ' ' CYS . 15.9 Cg_exo -64.79 105.12 0.61 Allowed 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 123.127 2.551 . . . . 0.0 112.112 -174.321 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.426 ' HA ' ' HD2' ' A' ' 26' ' ' TYR . 5.2 p -77.96 8.98 3.98 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -173.548 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -76.67 -4.78 44.96 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.33 -176.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -90.37 2.57 55.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.095 173.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.67 41.59 23.77 Favored Glycine 0 C--O 1.247 0.948 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.349 178.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.426 ' HD2' ' HA ' ' A' ' 22' ' ' THR . 31.2 m-85 -68.57 121.47 16.48 Favored 'General case' 0 C--N 1.346 0.442 0 O-C-N 124.039 0.494 . . . . 0.0 110.859 -177.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 85.0 m -93.13 -45.2 7.99 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.91 -177.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -112.31 137.61 14.38 Favored Glycine 0 N--CA 1.444 -0.791 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.392 -177.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.6 t -124.79 106.66 10.21 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 177.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 20.6 m -120.29 168.53 11.16 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.044 -178.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 19.5 ttt180 -96.75 132.82 42.06 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 119.707 -0.797 . . . . 0.0 109.456 169.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -106.27 160.49 15.32 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 171.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.538 ' HB3' HD22 ' A' ' 34' ' ' LEU . 48.1 t80 -51.11 -32.4 22.54 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 118.113 0.415 . . . . 0.0 111.768 -176.251 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.679 ' HB2' ' HE1' ' A' ' 13' ' ' TYR . 2.3 mm? -106.32 1.99 26.29 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -174.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.714 ' HA3' ' H ' ' A' ' 16' ' ' TYR . . . 162.02 -138.42 5.39 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 118.969 -1.586 . . . . 0.0 114.805 175.609 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 47.6 m -104.31 114.86 29.38 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 122.838 0.455 . . . . 0.0 110.893 -172.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 43.3 t -83.73 106.96 15.85 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.609 -178.288 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 74.7 m -103.97 109.68 21.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.092 0.472 . . . . 0.0 109.814 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.453 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 21.6 p -120.19 112.42 34.63 Favored Pre-proline 0 C--N 1.322 -0.604 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -173.225 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.544 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 36.7 Cg_endo -91.8 -87.4 0.0 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 122.395 2.063 . . . . 0.0 111.715 168.058 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -179.4 34.81 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 -176.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.1 t70 . . . . . 0 C--O 1.252 1.202 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.235 -173.931 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.753 0 N-CA-C 111.974 -0.451 . . . . 0.0 111.974 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.579 ' HB ' ' CE1' ' A' ' 13' ' ' TYR . 7.7 p -79.54 75.59 6.17 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.368 0.604 . . . . 0.0 110.636 179.337 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.425 ' HA ' ' O ' ' A' ' 11' ' ' GLY . . . -77.9 141.7 38.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.852 -173.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.514 ' SG ' ' HB3' ' A' ' 13' ' ' TYR . 26.8 p -140.57 166.19 25.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.498 177.147 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.3 m -130.07 140.12 50.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.005 0.431 . . . . 0.0 111.916 -176.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 86.6 m -123.07 79.48 1.67 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.59 173.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.5 -94.48 0.23 Allowed Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.685 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -95.4 -27.6 15.35 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.951 0.405 . . . . 0.0 110.536 179.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.9 m -84.28 141.04 31.24 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.387 -177.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.439 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 50.3 mtmt -136.49 134.08 37.23 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -179.424 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.642 ' HA3' ' HD2' ' A' ' 40' ' ' PRO . . . -167.86 -136.67 2.09 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.487 -0.864 . . . . 0.0 113.004 -178.197 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.8 mm -128.25 137.52 57.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 122.439 0.296 . . . . 0.0 110.331 -171.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.684 ' HE2' ' HB2' ' A' ' 34' ' ' LEU . 8.4 p90 -99.91 138.6 36.76 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.314 0.578 . . . . 0.0 110.055 176.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.441 ' O ' ' HA3' ' A' ' 35' ' ' GLY . 33.6 m95 -102.27 156.46 17.56 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.821 -178.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -90.31 111.82 23.16 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.811 -179.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.434 ' H ' ' HA3' ' A' ' 35' ' ' GLY . 66.8 m-85 49.35 80.27 0.07 Allowed 'General case' 0 C--O 1.253 1.248 0 O-C-N 124.208 0.942 . . . . 0.0 113.131 176.343 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -126.1 113.26 24.03 Favored Pre-proline 0 C--N 1.345 0.37 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.595 177.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -60.14 -12.57 20.01 Favored 'Trans proline' 0 C--O 1.251 1.137 0 C-N-CA 123.238 2.625 . . . . 0.0 112.861 -177.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.6 p -148.67 149.63 31.82 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.548 177.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.446 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 51.7 t -82.96 115.49 59.07 Favored Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 178.441 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 20' ' ' CYS . 20.8 Cg_exo -64.91 131.61 29.57 Favored 'Trans proline' 0 N--CA 1.464 -0.237 0 C-N-CA 122.784 2.323 . . . . 0.0 112.014 -177.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.9 m -79.29 55.72 1.94 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.301 0.572 . . . . 0.0 110.368 179.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -86.22 -67.48 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.782 -176.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.402 ' HB2' ' CE1' ' A' ' 26' ' ' TYR . 79.2 mtt180 -88.21 21.2 2.89 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.262 179.335 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 55.73 29.8 55.18 Favored Glycine 0 C--O 1.248 0.986 0 C-N-CA 120.414 -0.898 . . . . 0.0 111.9 -177.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.75 ' HD1' ' HD3' ' A' ' 40' ' ' PRO . 57.6 m-85 -38.33 138.9 0.42 Allowed 'General case' 0 C--N 1.348 0.54 0 O-C-N 125.024 1.073 . . . . 0.0 111.996 176.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.1 m -97.53 -49.29 4.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.967 -177.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -97.92 140.84 15.26 Favored Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 121.009 -0.615 . . . . 0.0 111.872 179.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.5 m -126.12 92.55 3.6 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.927 0.394 . . . . 0.0 110.48 178.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.0 m -106.04 163.44 12.76 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.4 ttt180 -96.03 134.54 38.94 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 119.516 -0.874 . . . . 0.0 109.748 171.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.582 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 13.2 t80 -107.51 164.1 12.5 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 173.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.474 ' HB2' HD22 ' A' ' 34' ' ' LEU . 97.6 m-85 -50.27 -35.79 28.67 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -175.594 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.684 ' HB2' ' HE2' ' A' ' 13' ' ' TYR . 2.4 mm? -100.47 -4.8 28.09 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -173.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.441 ' HA3' ' O ' ' A' ' 14' ' ' TRP . . . 163.96 -130.69 2.26 Favored Glycine 0 C--O 1.223 -0.584 0 C-N-CA 119.246 -1.454 . . . . 0.0 113.622 179.363 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.3 m -111.01 112.42 24.22 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.797 0.332 . . . . 0.0 111.32 -170.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.582 ' HB2' ' HB2' ' A' ' 32' ' ' TYR . 37.9 t -84.89 98.35 10.28 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.19 0.519 . . . . 0.0 109.891 -179.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.583 ' HB3' ' CG ' ' A' ' 26' ' ' TYR . 84.5 m -97.53 114.93 26.92 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.778 -178.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.469 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 20.5 p -120.3 116.07 32.5 Favored Pre-proline 0 C--N 1.319 -0.76 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -170.316 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.75 ' HD3' ' HD1' ' A' ' 26' ' ' TYR . 53.6 Cg_endo -84.25 -98.33 0.0 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.065 0 C-N-CA 121.845 1.697 . . . . 0.0 110.82 165.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -158.26 29.73 0.25 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.322 -0.236 . . . . 0.0 111.209 177.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 26.8 t70 . . . . . 0 C--O 1.246 0.889 0 CA-C-O 118.043 -0.979 . . . . 0.0 110.909 -175.48 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.779 0 N-CA-C 111.903 -0.479 . . . . 0.0 111.903 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.3 p -83.41 59.61 5.16 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.344 0.592 . . . . 0.0 110.922 -178.633 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.54 ' HA ' ' O ' ' A' ' 11' ' ' GLY . . . -84.19 129.72 34.88 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.575 -174.868 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 14.1 p -120.34 143.9 48.14 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.138 174.703 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.4 m -119.5 127.79 53.36 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.418 0.628 . . . . 0.0 111.665 -176.226 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.405 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 62.6 m -116.31 80.12 1.41 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.092 -0.958 . . . . 0.0 108.977 175.808 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.75 -101.07 0.67 Allowed Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.727 -176.897 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -91.07 -25.09 19.82 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.148 0.499 . . . . 0.0 110.282 178.237 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.405 ' HB2' ' HB2' ' A' ' 6' ' ' CYS . 14.7 m -78.77 134.41 37.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.412 -174.471 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.7 mttp -132.73 125.62 30.61 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 -178.547 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.564 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -158.22 -149.0 5.34 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 119.56 -1.305 . . . . 0.0 113.53 -177.477 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.0 mm -122.24 130.68 74.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.769 -0.216 . . . . 0.0 110.49 -172.106 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.534 ' HA ' ' HA ' ' A' ' 37' ' ' CYS . 8.7 p90 -95.97 139.57 31.97 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.351 0.596 . . . . 0.0 109.876 177.403 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.494 ' O ' ' HA3' ' A' ' 35' ' ' GLY . 28.7 m95 -107.62 149.2 28.35 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.179 -0.918 . . . . 0.0 108.831 -179.061 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -78.74 92.56 4.81 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.265 0.555 . . . . 0.0 111.473 -174.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.732 ' H ' ' HA3' ' A' ' 35' ' ' GLY . 61.6 m-85 58.52 73.75 0.46 Allowed 'General case' 0 C--O 1.251 1.17 0 CA-C-N 114.85 -1.068 . . . . 0.0 111.918 175.87 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 17' ' ' ARG . 14.5 mmt180 -113.84 108.42 51.26 Favored Pre-proline 0 C--N 1.344 0.368 0 CA-C-N 114.803 -1.089 . . . . 0.0 110.434 178.268 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -64.17 -11.32 27.13 Favored 'Trans proline' 0 C--O 1.248 0.99 0 C-N-CA 122.87 2.38 . . . . 0.0 112.192 179.285 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.1 m -131.7 121.72 24.72 Favored 'General case' 0 N--CA 1.448 -0.55 0 O-C-N 124.167 0.917 . . . . 0.0 110.108 -177.699 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.438 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 53.4 t -101.21 123.03 46.32 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.82 178.683 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 20' ' ' CYS . 11.6 Cg_exo -69.69 84.72 0.63 Allowed 'Trans proline' 0 N--CA 1.464 -0.226 0 C-N-CA 122.784 2.323 . . . . 0.0 111.707 179.496 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.7 t -76.79 -14.13 59.95 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.423 0.63 . . . . 0.0 109.628 -174.481 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -77.68 -10.5 59.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.819 -1.082 . . . . 0.0 109.57 177.188 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.4 tpt180 -78.52 -10.6 59.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.835 177.794 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.412 ' O ' ' HB3' ' A' ' 40' ' ' PRO . . . 104.7 30.89 4.72 Favored Glycine 0 C--O 1.246 0.906 0 C-N-CA 120.845 -0.693 . . . . 0.0 113.006 177.186 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.526 ' CD2' ' HB3' ' A' ' 38' ' ' CYS . 31.7 m-85 -90.57 137.66 32.18 Favored 'General case' 0 C--N 1.345 0.396 0 CA-C-O 120.868 0.366 . . . . 0.0 110.095 -179.742 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.1 m -91.08 -28.1 18.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.736 -174.455 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -155.42 163.92 31.79 Favored Glycine 0 N--CA 1.442 -0.924 0 C-N-CA 120.965 -0.636 . . . . 0.0 111.944 177.907 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.8 t -129.05 125.61 37.64 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 176.75 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 31.6 m -116.87 156.57 27.1 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.555 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.429 ' C ' ' HD3' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -86.96 128.6 35.07 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 176.565 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.569 ' HD2' ' H ' ' A' ' 34' ' ' LEU . 22.8 t80 -115.92 150.04 37.75 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.9 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -52.51 -39.1 60.93 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.922 0.391 . . . . 0.0 111.193 -177.36 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.569 ' H ' ' HD2' ' A' ' 32' ' ' TYR . 2.4 mm? -94.82 -0.53 54.05 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -176.538 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.732 ' HA3' ' H ' ' A' ' 16' ' ' TYR . . . 160.82 -136.74 4.61 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 119.381 -1.39 . . . . 0.0 114.564 174.406 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.4 m -112.76 118.58 35.37 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 120.715 0.293 . . . . 0.0 110.399 -173.761 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.534 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 23.3 t -86.23 104.67 15.99 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 120.976 0.417 . . . . 0.0 110.319 -178.842 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.526 ' HB3' ' CD2' ' A' ' 26' ' ' TYR . 84.3 m -97.58 109.16 21.97 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 177.006 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.564 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 0.8 OUTLIER -131.93 128.23 21.45 Favored Pre-proline 0 N--CA 1.446 -0.65 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -168.004 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.412 ' HB3' ' O ' ' A' ' 25' ' ' GLY . 27.1 Cg_endo -99.39 -85.84 0.0 OUTLIER 'Trans proline' 0 N--CA 1.443 -1.456 0 C-N-CA 123.57 2.846 . . . . 0.0 111.862 164.858 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -175.17 73.96 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.849 -1.068 . . . . 0.0 108.895 -174.753 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.4 t70 . . . . . 0 C--O 1.247 0.934 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.342 -178.211 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.6 0 N-CA-C 111.596 -0.601 . . . . 0.0 111.596 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.4 p -85.58 76.32 10.03 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.332 0.587 . . . . 0.0 110.698 -178.589 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.88 151.23 31.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.408 -175.596 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 49.4 t -149.73 148.75 29.61 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.797 178.72 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.4 m -125.92 123.83 39.47 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.49 0.662 . . . . 0.0 111.5 -179.317 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.438 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 71.5 m -112.8 73.53 0.82 Allowed 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 115.145 -0.934 . . . . 0.0 108.52 173.208 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.62 -112.57 5.11 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.574 -175.216 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -81.17 -23.04 38.48 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.014 0.435 . . . . 0.0 110.235 179.165 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.438 ' HB2' ' HB2' ' A' ' 6' ' ' CYS . 13.3 m -84.23 105.14 14.86 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.285 -178.583 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -116.76 136.6 52.83 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 122.262 -0.274 . . . . 0.0 110.618 -178.833 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.457 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -173.31 -137.88 2.5 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.654 -177.628 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.5 mm -122.01 133.39 68.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.677 0.275 . . . . 0.0 110.686 -171.609 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.637 ' HE2' ' HB2' ' A' ' 34' ' ' LEU . 7.7 p90 -97.45 137.28 36.66 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 120.059 -0.657 . . . . 0.0 109.873 177.098 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.436 ' O ' ' HA3' ' A' ' 35' ' ' GLY . 7.6 m95 -100.52 159.1 15.42 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 -179.585 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -82.2 -159.34 0.3 Allowed 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 177.353 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -60.02 87.69 0.01 OUTLIER 'General case' 0 C--O 1.25 1.088 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 -177.925 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 62.2 mtp85 -146.04 98.9 4.35 Favored Pre-proline 0 C--N 1.343 0.309 0 CA-C-N 114.33 -1.305 . . . . 0.0 108.202 174.216 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_endo -61.19 -14.12 32.05 Favored 'Trans proline' 0 C--O 1.25 1.096 0 C-N-CA 122.993 2.462 . . . . 0.0 113.692 -172.559 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.1 m -114.85 88.98 2.99 Favored 'General case' 0 N--CA 1.451 -0.419 0 O-C-N 123.57 0.544 . . . . 0.0 111.308 -178.021 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.433 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 40.4 t -86.96 135.62 35.05 Favored Pre-proline 0 C--N 1.325 -0.464 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 172.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 20' ' ' CYS . 7.0 Cg_exo -73.54 79.64 2.14 Favored 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.812 2.342 . . . . 0.0 111.104 178.543 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.705 ' HA ' ' HD2' ' A' ' 26' ' ' TYR . 3.2 p -78.61 14.78 1.18 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -172.261 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -100.35 21.85 12.47 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.422 0.629 . . . . 0.0 109.586 176.283 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 53.8 mtp85 -112.87 37.55 3.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.926 -178.231 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.42 ' C ' ' HB3' ' A' ' 40' ' ' PRO . . . 87.23 -16.46 48.25 Favored Glycine 0 C--O 1.249 1.081 0 C-N-CA 120.877 -0.677 . . . . 0.0 112.626 177.859 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.705 ' HD2' ' HA ' ' A' ' 22' ' ' THR . 23.9 m-85 -50.32 119.68 3.91 Favored 'General case' 0 C--N 1.35 0.628 0 O-C-N 124.555 0.797 . . . . 0.0 111.07 -177.513 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 15.0 m -95.09 -31.36 13.6 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.594 -176.767 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -127.96 146.43 16.67 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.801 179.15 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.456 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 7.6 t -129.22 92.21 3.33 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 175.247 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.3 m -103.71 159.69 15.41 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.519 -173.595 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.461 ' HD2' ' O ' ' A' ' 35' ' ' GLY . 10.2 tpt180 -85.52 131.81 34.3 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.932 -0.395 . . . . 0.0 109.932 174.884 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.544 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 8.4 t80 -117.83 159.81 22.45 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 175.161 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.428 ' HB2' HD22 ' A' ' 34' ' ' LEU . 74.2 m-85 -53.9 -28.97 39.78 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 112.268 0.469 . . . . 0.0 112.268 -175.592 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.637 ' HB2' ' HE2' ' A' ' 13' ' ' TYR . 2.1 mm? -109.28 -3.68 17.01 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 112.2 0.445 . . . . 0.0 112.2 -176.024 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.461 ' O ' ' HD2' ' A' ' 31' ' ' ARG . . . 168.87 -131.37 2.28 Favored Glycine 0 C--O 1.227 -0.338 0 C-N-CA 119.411 -1.376 . . . . 0.0 113.632 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 87.8 m -127.86 123.49 35.21 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.051 0.453 . . . . 0.0 111.364 -174.532 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.591 ' HA ' ' HA ' ' A' ' 13' ' ' TYR . 99.7 m -79.38 108.77 13.15 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.974 179.53 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 55.9 m -96.62 97.95 9.8 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 173.959 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.457 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 38.7 p -121.14 112.75 33.02 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.78 -167.283 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.42 ' HB3' ' C ' ' A' ' 25' ' ' GLY . 33.1 Cg_endo -96.62 -86.71 0.0 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.111 0 C-N-CA 122.945 2.43 . . . . 0.0 111.83 169.034 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -169.56 32.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.729 -1.212 . . . . 0.0 107.729 175.872 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.4 t70 . . . . . 0 C--O 1.252 1.231 0 CA-C-N 114.72 -1.127 . . . . 0.0 109.578 -169.904 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.625 0 N-CA-C 111.776 -0.53 . . . . 0.0 111.776 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.4 p -82.87 68.81 9.51 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.138 0.494 . . . . 0.0 111.114 179.916 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.98 148.02 52.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.707 -0.678 . . . . 0.0 111.199 -179.194 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.543 ' HB2' ' HB3' ' A' ' 13' ' ' TYR . 49.4 t -141.36 154.59 45.74 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.212 -179.4 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.9 m -131.28 134.06 46.01 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.134 0.492 . . . . 0.0 111.058 -178.825 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.466 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 68.8 m -120.96 78.0 1.35 Allowed 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 173.276 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 63.95 -114.68 7.06 Favored Glycine 0 N--CA 1.447 -0.604 0 N-CA-C 111.398 -0.681 . . . . 0.0 111.398 -173.584 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -81.04 -20.78 40.93 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.461 0.172 . . . . 0.0 110.984 178.724 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.466 ' HB2' ' HB2' ' A' ' 6' ' ' CYS . 19.8 m -78.69 122.43 25.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.953 0.406 . . . . 0.0 109.994 -179.139 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.543 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 46.0 mmtm -115.67 142.25 46.99 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -178.369 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.481 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -174.92 -148.0 6.47 Favored Glycine 0 N--CA 1.448 -0.567 0 C-N-CA 120.069 -1.062 . . . . 0.0 112.832 179.792 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.9 mm -127.92 141.7 45.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 -176.113 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.543 ' HB3' ' HB2' ' A' ' 4' ' ' CYS . 0.6 OUTLIER -105.28 128.97 53.71 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 121.655 0.74 . . . . 0.0 110.503 176.975 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.551 ' O ' ' HA3' ' A' ' 35' ' ' GLY . 32.4 m95 -101.62 150.01 23.53 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 114.48 -1.236 . . . . 0.0 108.871 -178.534 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.516 ' HA ' ' O ' ' A' ' 34' ' ' LEU . 89.0 m-85 -79.4 100.69 7.75 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.985 0.422 . . . . 0.0 111.242 -176.439 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.569 ' H ' ' HA3' ' A' ' 35' ' ' GLY . 83.5 m-85 53.66 80.94 0.1 Allowed 'General case' 0 C--O 1.249 1.07 0 CA-C-N 114.694 -1.139 . . . . 0.0 112.732 175.606 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 17' ' ' ARG . 9.7 mmt180 -115.01 112.06 44.76 Favored Pre-proline 0 N--CA 1.452 -0.337 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.536 175.478 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -57.75 -17.84 31.15 Favored 'Trans proline' 0 C--O 1.249 1.07 0 C-N-CA 123.144 2.563 . . . . 0.0 112.49 -176.57 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.1 p -152.79 138.28 17.68 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.762 177.909 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 53.9 t -92.22 122.13 65.35 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.113 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -70.16 125.07 11.53 Favored 'Trans proline' 0 N--CA 1.461 -0.421 0 C-N-CA 122.554 2.17 . . . . 0.0 111.328 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.22 68.9 4.34 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.265 0.555 . . . . 0.0 111.397 -175.282 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -89.64 -56.89 3.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.482 177.657 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -89.91 23.51 2.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.934 -179.932 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 53.32 28.63 35.78 Favored Glycine 0 C--O 1.245 0.805 0 C-N-CA 120.951 -0.642 . . . . 0.0 112.566 -179.743 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.646 ' HD1' ' HD3' ' A' ' 40' ' ' PRO . 64.3 m-85 -32.55 128.09 0.25 Allowed 'General case' 0 C--N 1.352 0.702 0 O-C-N 125.153 1.149 . . . . 0.0 112.704 179.607 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.441 ' OG1' ' HA ' ' A' ' 40' ' ' PRO . 6.3 m -82.98 -42.7 17.27 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.241 -175.35 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -129.66 162.29 22.84 Favored Glycine 0 N--CA 1.443 -0.864 0 CA-C-N 115.617 -0.719 . . . . 0.0 112.183 179.016 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.9 m -135.07 81.35 1.89 Allowed 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 177.565 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.605 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 35.0 m -76.32 136.08 39.58 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.705 -174.568 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.439 ' HD2' ' O ' ' A' ' 35' ' ' GLY . 1.0 OUTLIER -79.31 97.25 6.22 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 176.883 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.552 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 4.5 t80 -79.57 163.1 24.92 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 176.87 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.565 ' HB3' HD22 ' A' ' 34' ' ' LEU . 29.1 t80 -51.7 -35.55 43.27 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.623 0.249 . . . . 0.0 111.489 -174.49 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.565 HD22 ' HB3' ' A' ' 33' ' ' PHE . 2.8 mm? -115.28 16.74 16.8 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -177.045 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.569 ' HA3' ' H ' ' A' ' 16' ' ' TYR . . . 158.84 -143.44 9.27 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 118.304 -1.903 . . . . 0.0 115.219 173.845 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.42 ' O ' ' HA ' ' A' ' 13' ' ' TYR . 5.0 m -115.26 112.65 22.76 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.35 -0.425 . . . . 0.0 111.407 -170.126 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.605 ' HB2' ' HB2' ' A' ' 30' ' ' CYS . 66.6 m -79.73 93.04 5.49 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.35 174.54 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.432 ' HB3' ' CD1' ' A' ' 26' ' ' TYR . 91.3 m -79.36 105.47 10.7 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 175.767 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.481 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 28.0 p -127.07 111.42 21.72 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 -170.697 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.646 ' HD3' ' HD1' ' A' ' 26' ' ' TYR . 20.1 Cg_endo -93.52 -83.9 0.0 OUTLIER 'Trans proline' 0 N--CA 1.445 -1.367 0 C-N-CA 122.528 2.152 . . . . 0.0 110.223 161.318 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.414 ' HA ' ' H ' ' A' ' 10' ' ' LYS . . . -161.88 27.33 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.606 172.979 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.9 t70 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.384 -0.817 . . . . 0.0 110.618 -171.602 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.662 0 N-CA-C 111.786 -0.525 . . . . 0.0 111.786 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -83.04 71.96 10.11 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.354 0.597 . . . . 0.0 110.662 178.566 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.423 ' HA ' ' O ' ' A' ' 11' ' ' GLY . . . -74.16 133.52 42.77 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.588 -175.133 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 46.9 t -134.01 151.52 51.48 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.303 176.924 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.5 m -131.02 136.09 48.17 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-O 121.405 0.621 . . . . 0.0 111.478 -178.039 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 81.7 m -118.32 88.53 2.94 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.99 -1.005 . . . . 0.0 108.393 171.674 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.36 -109.31 2.79 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 -173.543 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 28.1 p-10 -103.21 -5.41 23.18 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.801 0.334 . . . . 0.0 110.192 176.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.7 t -82.9 127.33 33.4 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 178.409 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -133.31 144.2 49.52 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.86 -0.336 . . . . 0.0 111.157 -173.587 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.512 ' HA2' ' HB3' ' A' ' 42' ' ' ASP . . . -176.75 -134.92 2.06 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.366 -179.844 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 47.1 mm -126.75 134.99 64.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 110.164 -0.31 . . . . 0.0 110.164 -173.397 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.447 ' HE2' ' HB2' ' A' ' 34' ' ' LEU . 25.4 p90 -101.27 143.8 30.89 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.179 -0.608 . . . . 0.0 109.972 176.115 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.568 ' O ' ' HA3' ' A' ' 35' ' ' GLY . 30.4 m95 -109.04 137.52 46.82 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.088 -173.681 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.522 ' O ' ' HG2' ' A' ' 17' ' ' ARG . 99.2 m-85 -78.56 122.19 25.59 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.462 -174.495 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.452 ' O ' ' HD3' ' A' ' 18' ' ' PRO . 30.8 p90 48.27 20.73 0.3 Allowed 'General case' 0 C--O 1.25 1.086 0 C-N-CA 124.53 1.132 . . . . 0.0 113.19 -177.377 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.524 ' HB2' ' CB ' ' A' ' 14' ' ' TRP . 22.8 mmm180 -99.92 103.37 21.8 Favored Pre-proline 0 C--N 1.343 0.314 0 O-C-N 123.505 0.503 . . . . 0.0 110.084 179.902 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.452 ' HD3' ' O ' ' A' ' 16' ' ' TYR . 88.0 Cg_endo -89.99 39.48 0.4 Allowed 'Trans proline' 0 C--O 1.249 1.071 0 C-N-CA 123.068 2.512 . . . . 0.0 112.617 -177.35 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.8 t -155.04 119.72 4.8 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.769 -178.723 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 94.3 m -92.93 121.34 66.02 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.303 179.79 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.53 118.98 5.67 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 123.085 2.523 . . . . 0.0 112.237 178.029 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.9 m -78.34 2.55 18.21 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.361 0.6 . . . . 0.0 111.08 -176.416 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -79.73 -44.65 20.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.77 -177.962 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 19.4 ttp85 -97.86 39.29 1.23 Allowed 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 121.14 0.495 . . . . 0.0 110.82 -176.44 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.451 ' O ' ' HB3' ' A' ' 40' ' ' PRO . . . 46.68 36.46 8.22 Favored Glycine 0 C--O 1.249 1.072 0 CA-C-N 114.84 -1.073 . . . . 0.0 115.427 167.403 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.535 ' HD1' ' HD3' ' A' ' 40' ' ' PRO . 57.9 m-85 -61.88 119.44 8.81 Favored 'General case' 0 C--N 1.344 0.339 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 174.481 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.5 m -92.55 -39.26 11.46 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.3 -170.379 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -113.22 153.91 17.27 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.938 -0.648 . . . . 0.0 111.856 -179.065 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.9 t -140.21 105.19 4.98 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.171 0.51 . . . . 0.0 109.73 179.366 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 33.6 m -115.1 157.31 23.74 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.664 -178.518 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -92.11 124.7 36.39 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.366 0.603 . . . . 0.0 110.005 175.83 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.578 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 7.3 t80 -110.65 155.05 22.94 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 176.038 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -46.96 -41.22 15.8 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.773 0.32 . . . . 0.0 111.504 -177.825 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.447 ' HB2' ' HE2' ' A' ' 13' ' ' TYR . 2.5 mm? -89.48 -15.6 32.71 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 -174.362 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.568 ' HA3' ' O ' ' A' ' 14' ' ' TRP . . . 170.84 -138.32 4.88 Favored Glycine 0 C--O 1.223 -0.584 0 C-N-CA 119.715 -1.231 . . . . 0.0 113.333 -178.747 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.1 m -117.7 123.81 46.98 Favored 'General case' 0 C--N 1.317 -0.817 0 O-C-N 122.422 -0.458 . . . . 0.0 111.144 -175.974 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.578 ' SG ' ' HB2' ' A' ' 32' ' ' TYR . 80.5 m -81.44 107.13 13.96 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.064 178.745 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 37.3 m -98.87 105.34 17.47 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 176.836 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.423 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 39.7 p -119.51 116.17 33.59 Favored Pre-proline 0 C--N 1.323 -0.585 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -169.804 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.535 ' HD3' ' HD1' ' A' ' 26' ' ' TYR . 33.0 Cg_endo -96.57 -90.1 0.0 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 122.581 2.187 . . . . 0.0 111.028 163.385 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -154.6 37.95 0.42 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 173.933 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.512 ' HB3' ' HA2' ' A' ' 11' ' ' GLY . 35.3 t70 . . . . . 0 C--O 1.253 1.238 0 CA-C-N 114.791 -1.095 . . . . 0.0 110.426 -172.375 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.476 0 N-CA-C 111.875 -0.49 . . . . 0.0 111.875 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 18.6 p -122.15 56.79 1.09 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.248 0.547 . . . . 0.0 110.517 178.878 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.39 135.8 44.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.177 -177.918 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 42.0 t -136.0 152.84 51.34 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.031 -179.066 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.0 m -129.24 134.15 47.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.025 0.441 . . . . 0.0 110.926 -178.302 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 87.7 m -123.99 90.5 3.28 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.143 178.213 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.27 -96.12 0.11 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 121.062 -0.589 . . . . 0.0 112.501 179.207 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -91.61 -36.41 13.68 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.08 0.467 . . . . 0.0 110.56 179.477 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.0 m -83.52 144.02 29.8 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.373 -172.345 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.567 ' O ' ' HD2' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -133.48 135.8 44.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.223 178.046 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.464 ' HA3' ' HA ' ' A' ' 39' ' ' THR . . . -166.42 -137.71 2.28 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.16 -1.019 . . . . 0.0 112.844 -178.175 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 51.1 mm -127.39 137.2 58.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 -173.214 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.523 ' HE2' ' HB2' ' A' ' 34' ' ' LEU . 10.0 p90 -99.71 138.04 37.35 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 119.966 -0.694 . . . . 0.0 110.038 177.098 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 34.2 m95 -107.71 144.6 34.6 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.637 -176.091 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -79.36 122.14 26.01 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.926 0.393 . . . . 0.0 111.769 -173.728 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 49.93 32.98 6.04 Favored 'General case' 0 C--O 1.248 1.002 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 170.138 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.468 ' HD3' ' O ' ' A' ' 19' ' ' SER . 7.0 ptp180 -108.6 111.8 61.0 Favored Pre-proline 0 N--CA 1.454 -0.274 0 C-N-CA 119.891 -0.723 . . . . 0.0 110.157 169.058 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -78.01 9.0 3.2 Favored 'Trans proline' 0 C--O 1.251 1.137 0 C-N-CA 122.703 2.269 . . . . 0.0 112.09 178.21 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.468 ' O ' ' HD3' ' A' ' 17' ' ' ARG . 43.3 t -123.11 111.34 16.42 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.506 177.92 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.1 t -85.77 128.83 56.96 Favored Pre-proline 0 C--N 1.32 -0.685 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.647 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.441 ' HD2' ' SG ' ' A' ' 38' ' ' CYS . 59.6 Cg_endo -71.88 -177.95 2.86 Favored 'Trans proline' 0 N--CA 1.463 -0.283 0 C-N-CA 122.622 2.215 . . . . 0.0 111.828 178.495 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.6 p -131.98 34.47 3.83 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.115 0.484 . . . . 0.0 110.664 -179.4 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -77.93 -28.38 49.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.705 -173.226 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -110.11 9.62 24.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.748 -0.206 . . . . 0.0 111.551 -179.143 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 60.96 55.3 30.5 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.29 -0.957 . . . . 0.0 110.977 -172.279 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.477 ' CD1' ' HB3' ' A' ' 38' ' ' CYS . 87.6 m-85 -63.16 142.79 58.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.041 0.448 . . . . 0.0 110.989 -174.568 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 59.6 m -100.24 -47.53 4.92 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.055 -176.049 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -122.21 137.94 11.75 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.363 -0.922 . . . . 0.0 113.081 -177.707 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.0 t -112.05 123.9 51.26 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 175.369 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.695 ' HB2' ' HB2' ' A' ' 37' ' ' CYS . 16.0 m -132.72 165.46 24.46 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.087 -172.747 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -103.62 119.77 39.57 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 174.346 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.626 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 0.7 OUTLIER -112.4 165.28 12.34 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 174.56 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.549 ' HB2' HD22 ' A' ' 34' ' ' LEU . 45.7 m-85 -50.21 -33.78 20.59 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.812 0.671 . . . . 0.0 112.812 -170.151 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.549 HD22 ' HB2' ' A' ' 33' ' ' PHE . 2.1 mm? -108.73 -3.31 17.92 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -173.227 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 168.65 -147.75 11.66 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 119.348 -1.406 . . . . 0.0 114.102 -179.259 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.6 m -110.65 123.85 50.78 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.889 0.376 . . . . 0.0 110.982 -173.218 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.695 ' HB2' ' HB2' ' A' ' 30' ' ' CYS . 64.4 m -84.31 111.07 19.08 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.454 -179.237 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.477 ' HB3' ' CD1' ' A' ' 26' ' ' TYR . 90.5 m -97.82 103.75 15.72 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 173.396 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.464 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 53.3 p -119.15 111.97 36.51 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -170.437 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.567 ' HD2' ' O ' ' A' ' 10' ' ' LYS . 31.6 Cg_endo -94.27 -80.23 0.0 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 122.759 2.306 . . . . 0.0 112.288 167.876 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.406 ' HA ' ' HG2' ' A' ' 10' ' ' LYS . . . -176.64 35.48 0.0 OUTLIER 'General case' 0 C--N 1.334 -0.084 0 C-N-CA 122.985 0.514 . . . . 0.0 110.027 -176.9 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.446 ' OXT' ' HE3' ' A' ' 10' ' ' LYS . 23.1 t70 . . . . . 0 C--O 1.246 0.914 0 CA-C-O 118.386 -0.816 . . . . 0.0 110.079 -176.034 . . . . . . . . 1 1 . 1 stop_ save_