data_2ndn_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 2ndn _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.248 0 N-CA-C 112.481 -0.248 . . . . 74.32 112.481 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 43.7 mm -84.88 142.23 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.882 0.373 . . . . 72.23 111.165 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.9 m -119.59 133.77 55.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 71.01 110.93 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.4 p90 -120.49 133.33 55.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 75.24 110.889 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.8 ttpt -103.7 136.32 43.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 74.13 110.941 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -88.69 160.6 43.98 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.583 0.706 . . . . 65.32 110.872 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 -23.45 30.96 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.689 2.259 . . . . 65.04 112.379 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -75.41 -22.02 57.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 74.02 110.863 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.67 16.76 11.26 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.818 -0.706 . . . . 74.14 112.496 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.0 m -87.2 130.49 34.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.911 0.386 . . . . 71.21 110.861 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.7 m -96.46 113.15 24.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 74.24 111.166 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 66.8 mt -132.49 140.76 48.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 74.3 110.882 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 57.7 m -120.25 148.82 43.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 65.54 110.901 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -93.45 160.38 33.2 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-O 121.541 0.686 . . . . 74.5 111.135 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -17.39 37.77 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.716 2.277 . . . . 74.23 112.368 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.8 t70 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 71.03 110.834 179.933 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.511 -0.236 . . . . 71.34 112.511 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 44.9 mm -99.46 117.94 45.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.9 0.381 . . . . 71.14 111.111 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -114.85 128.64 56.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 71.35 110.869 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.8 p90 -145.41 145.81 31.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 73.45 110.875 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.8 mtmm -93.75 123.46 37.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 75.43 110.886 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.98 160.63 77.36 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.552 0.691 . . . . 74.52 110.893 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.74 -20.02 35.46 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.648 2.232 . . . . 63.2 112.335 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -76.72 -22.17 54.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 71.22 110.873 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.13 -19.89 19.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.74 . . . . 70.5 112.532 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.6 m -70.48 152.05 44.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.954 0.407 . . . . 63.21 110.847 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.8 m -97.06 129.52 44.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 71.11 111.176 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.2 tp -134.21 144.36 48.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 75.51 110.914 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.9 m -134.84 155.7 50.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 73.24 110.846 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -103.23 160.38 26.36 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.513 0.673 . . . . 73.15 111.149 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 -20.23 35.04 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.721 2.281 . . . . 74.03 112.31 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 73.2 110.826 179.961 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.505 -0.238 . . . . 74.53 112.505 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 55.7 mt -76.39 143.05 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.808 0.337 . . . . 75.21 111.114 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -134.08 159.87 39.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 74.14 110.886 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -139.07 165.26 27.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 73.14 110.886 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 35.9 mtmt -134.13 103.98 6.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 75.32 110.868 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -83.88 160.55 57.96 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.608 0.718 . . . . 74.44 110.814 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -15.43 37.26 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.703 2.269 . . . . 73.15 112.317 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -77.78 -22.09 50.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 74.54 110.849 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.41 -29.71 9.71 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.682 -0.77 . . . . 74.55 112.521 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.6 m -57.86 126.65 28.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.89 0.376 . . . . 64.25 110.872 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -84.07 111.64 19.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 71.21 111.117 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.0 tp -96.25 109.15 21.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.177 -0.465 . . . . 74.42 110.881 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.0 m -117.63 140.01 50.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 74.24 110.89 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -99.68 160.49 27.22 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.655 0.74 . . . . 71.31 111.06 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 -12.1 32.05 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.627 2.218 . . . . 65.54 112.328 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 72.21 110.874 179.89 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.499 -0.24 . . . . 71.01 112.499 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 30.8 mt -99.57 115.73 41.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.838 0.351 . . . . 74.12 111.155 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -105.7 140.82 38.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 73.2 110.84 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -115.69 162.78 16.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 74.41 110.837 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -135.81 99.58 4.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.069 -0.514 . . . . 71.14 110.908 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -73.63 160.43 82.2 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.616 0.722 . . . . 61.21 110.888 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -28.29 25.49 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.742 2.295 . . . . 71.34 112.369 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -75.42 -22.15 57.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 73.11 110.871 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.5 -16.1 19.53 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.715 -0.755 . . . . 75.02 112.477 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.6 m -57.13 128.47 37.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.93 0.395 . . . . 70.21 110.828 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.2 m -95.87 120.08 35.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 72.11 111.162 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 tt -120.67 115.53 23.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 75.34 110.865 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.9 m -112.06 147.95 34.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 74.2 110.938 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -101.93 160.49 26.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.576 0.703 . . . . 72.51 111.103 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -12.44 32.93 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.639 2.226 . . . . 74.31 112.407 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 65.34 110.822 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.494 -0.243 . . . . 63.32 112.494 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 58.4 mt -99.55 117.04 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.885 0.374 . . . . 74.44 111.093 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.0 m -96.88 121.23 38.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 71.53 110.849 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -115.51 153.47 31.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 73.14 110.834 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.0 ptpp? -110.92 95.86 5.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.087 -0.506 . . . . 74.24 110.879 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -56.48 157.95 8.84 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.665 0.745 . . . . 73.51 110.868 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -13.92 35.37 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.727 2.284 . . . . 70.43 112.326 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -76.03 -22.16 56.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 74.52 110.888 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.68 20.58 36.79 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.793 -0.718 . . . . 61.12 112.479 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.8 m -98.84 151.95 20.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.901 0.381 . . . . 71.12 110.871 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.1 m -90.65 112.74 24.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 75.34 111.129 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mt -137.32 146.49 44.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 73.24 110.911 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 23.2 m -138.69 154.84 48.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 74.22 110.877 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -97.72 160.53 28.37 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.56 0.695 . . . . 70.41 111.081 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -30.58 21.82 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.619 2.212 . . . . 75.55 112.333 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 54.4 110.924 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.55 -0.22 . . . . 74.35 112.55 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 50.1 mm -99.56 123.42 52.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.874 0.368 . . . . 71.34 111.142 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.9 m -122.1 126.82 49.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 75.54 110.896 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -142.83 144.5 32.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 73.41 110.807 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.7 mtpp -86.32 106.62 17.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 75.52 110.883 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.77 160.54 19.25 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.525 0.679 . . . . 74.24 110.903 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -16.34 37.25 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.665 2.244 . . . . 54.43 112.347 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -75.33 -22.04 57.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 73.43 110.947 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.02 -35.75 4.76 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.778 -0.725 . . . . 63.4 112.463 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.5 t -60.46 161.46 7.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.936 0.398 . . . . 72.15 110.848 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.7 m -98.71 117.55 33.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 75.41 111.138 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -121.74 139.03 54.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 74.31 110.922 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.2 m -131.03 155.9 46.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 54.54 110.855 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -105.33 160.38 26.22 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.541 0.686 . . . . 74.41 111.078 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -23.63 30.72 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.688 2.258 . . . . 73.01 112.332 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 73.31 110.862 179.935 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.434 0 N-CA-C 112.518 -0.233 . . . . 74.41 112.518 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 44.8 mt -74.32 117.28 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.858 0.361 . . . . 74.54 111.153 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.0 m -101.82 130.04 48.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 64.44 110.912 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -132.6 156.36 47.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 64.44 110.863 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.3 mtmt -101.49 132.35 47.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 75.44 110.878 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -88.76 160.58 43.79 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 121.627 0.727 . . . . 75.42 110.813 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -18.12 37.31 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.666 2.244 . . . . 74.41 112.369 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -78.58 -22.14 47.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 72.21 110.89 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.58 -21.08 37.76 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.695 -0.764 . . . . 74.41 112.482 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.4 p -65.13 155.31 35.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.98 0.419 . . . . 73.22 110.826 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.5 m -92.6 112.29 24.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.063 -0.517 . . . . 72.55 111.158 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 tt -129.48 120.73 25.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 73.44 110.92 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 54.6 m -113.43 150.74 32.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 72.23 110.941 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.56 160.43 67.22 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.576 0.703 . . . . 53.11 111.109 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -21.53 33.4 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.742 2.295 . . . . 71.43 112.361 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 72.43 110.898 179.879 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.49 -0.244 . . . . 74.32 112.49 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.2 pt -74.06 148.36 8.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.905 0.383 . . . . 71.53 111.068 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -128.33 136.47 51.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 74.53 110.896 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -147.99 133.31 18.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 74.52 110.872 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.5 ptmt -88.62 129.53 35.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 74.33 110.882 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -70.41 160.53 80.94 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.651 0.738 . . . . 71.03 110.786 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -18.2 37.1 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.643 2.229 . . . . 71.33 112.299 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -75.41 -21.87 57.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 75.41 110.897 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.75 -19.9 15.6 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.753 -0.737 . . . . 72.23 112.505 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.5 p -72.99 148.23 44.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.941 0.401 . . . . 74.35 110.929 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.2 t -91.26 130.49 37.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 70.32 111.155 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.5 tp -132.94 147.43 52.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 65.14 110.928 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 36.2 m -139.23 146.11 40.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 72.02 110.889 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.14 161.11 36.01 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.597 0.713 . . . . 73.44 111.161 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -24.86 29.11 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.678 2.252 . . . . 74.2 112.312 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 70.35 110.878 179.96 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.45 -0.26 . . . . 60.31 112.45 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 68.5 mt -80.01 138.27 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.89 0.376 . . . . 75.53 111.181 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.0 m -121.72 160.61 24.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 73.3 110.893 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -131.26 137.97 49.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 74.54 110.86 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -122.32 108.8 13.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 74.4 110.924 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -88.91 160.53 43.45 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.616 0.722 . . . . 73.34 110.869 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -18.71 36.92 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.638 2.225 . . . . 74.45 112.403 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -75.39 -22.02 57.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 73.24 110.85 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.42 -14.87 39.16 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.777 -0.725 . . . . 74.14 112.533 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.5 p -57.0 133.35 54.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.941 0.4 . . . . 55.55 110.891 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.7 m -94.48 116.21 28.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.072 -0.513 . . . . 74.43 111.077 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -118.81 135.04 54.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 73.35 110.871 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 m -141.47 144.24 34.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 61.14 110.959 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -104.29 160.48 25.9 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.604 0.716 . . . . 75.12 111.075 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -15.9 37.4 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.662 2.242 . . . . 74.42 112.357 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.471 . . . . 63.24 110.89 179.949 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.541 -0.224 . . . . 64.01 112.541 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 46.3 mm -99.5 130.86 47.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.836 0.35 . . . . 74.32 111.127 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.6 m -131.69 121.11 23.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 74.41 110.866 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -136.64 150.37 48.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 74.44 110.907 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.9 mtmt -98.07 113.12 24.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 75.33 110.94 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.05 160.66 5.89 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.619 0.723 . . . . 61.53 110.843 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.82 -17.19 37.43 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.688 2.259 . . . . 75.24 112.306 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -78.13 -21.94 49.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 74.31 110.928 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.62 -24.39 10.37 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.735 -0.745 . . . . 33.01 112.496 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.3 t -69.2 157.63 36.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.97 0.415 . . . . 75.15 110.826 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.1 t -103.78 137.2 42.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.106 -0.497 . . . . 63.54 111.18 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.8 mt -136.2 138.33 41.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 75.15 110.86 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.7 m -127.76 148.53 50.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 65.22 110.832 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -104.24 160.35 26.33 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.615 0.721 . . . . 74.21 111.093 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -17.13 37.56 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.642 2.228 . . . . 74.4 112.391 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.9 t0 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 63.3 110.898 179.904 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.49 -0.244 . . . . 54.35 112.49 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 48.3 mt -65.4 115.39 3.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.889 0.376 . . . . 74.4 111.145 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.6 m -128.34 139.11 52.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 74.3 110.831 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -146.47 138.31 24.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 74.13 110.822 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.0 ttpp -84.85 122.86 29.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 72.32 110.892 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -88.92 156.59 49.44 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.676 0.75 . . . . 75.3 110.862 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -14.79 36.44 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.657 2.238 . . . . 74.31 112.315 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -75.29 -22.1 57.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 73.02 110.882 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.68 -23.44 35.71 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.705 -0.76 . . . . 74.25 112.504 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.9 m -64.83 152.59 42.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.947 0.403 . . . . 65.5 110.809 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.0 m -93.58 120.49 33.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 71.42 111.196 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 tt -127.49 130.17 48.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 65.31 110.896 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.4 m -139.64 152.43 46.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 64.32 110.895 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -97.01 160.38 29.23 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.558 0.694 . . . . 73.02 111.133 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.78 -17.43 37.49 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.67 2.247 . . . . 74.33 112.355 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 63.3 110.896 179.899 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.462 -0.255 . . . . 63.23 112.462 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 44.5 mm -99.65 110.21 26.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.941 0.401 . . . . 75.43 111.091 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -103.85 141.14 36.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 74.21 110.895 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -114.22 137.13 52.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 73.15 110.942 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -113.85 97.3 6.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 72.4 110.89 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -84.4 160.53 56.62 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.652 0.739 . . . . 63.12 110.871 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 -19.9 35.81 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.673 2.249 . . . . 72.14 112.378 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -75.37 -22.08 57.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 74.43 110.855 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.79 23.62 45.31 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.729 -0.748 . . . . 74.53 112.49 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.9 p -80.37 159.77 25.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.976 0.417 . . . . 63.1 110.865 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.6 m -96.5 107.12 19.48 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.141 -0.482 . . . . 73.11 111.156 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.9 mt -133.69 125.94 29.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 73.04 110.969 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.0 m -143.73 148.97 36.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 74.44 110.853 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -105.03 160.52 25.69 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.612 0.72 . . . . 73.24 111.103 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -15.14 36.75 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.669 2.246 . . . . 74.51 112.305 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 65.22 110.841 179.942 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 N-CA-C 112.397 -0.281 . . . . 61.15 112.397 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 55.6 mt -99.56 127.15 52.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.849 0.357 . . . . 74.15 111.161 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.2 m -109.49 159.2 17.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 75.24 110.803 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -136.67 167.46 21.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 70.53 110.93 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.0 mtpp -134.89 115.43 13.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 74.22 110.879 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.15 156.54 51.64 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.593 0.711 . . . . 53.44 110.938 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -16.11 37.41 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.716 2.277 . . . . 73.53 112.335 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -75.27 -22.08 58.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 75.04 110.881 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.48 -25.14 11.42 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.74 -0.743 . . . . 64.0 112.494 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.2 m -67.62 143.27 56.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.03 0.443 . . . . 75.44 110.797 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.7 t -99.51 132.67 44.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.118 -0.492 . . . . 72.44 111.142 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.6 tp -114.52 146.76 40.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 74.1 110.882 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 m -141.56 142.45 33.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 71.42 110.887 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -101.32 160.51 26.4 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.606 0.717 . . . . 73.04 111.103 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -13.55 34.98 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.713 2.276 . . . . 73.51 112.361 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.31 -0.404 . . . . 73.32 110.876 179.947 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.482 -0.247 . . . . 65.32 112.482 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 32.2 mm -77.22 132.6 32.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.891 0.377 . . . . 75.32 111.113 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.3 m -121.27 153.5 37.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 61.34 110.847 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -123.33 149.15 45.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 73.52 110.933 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.75 98.76 6.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 74.13 110.922 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -86.17 137.01 35.22 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.619 0.723 . . . . 75.44 110.821 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -10.08 27.63 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.663 2.242 . . . . 74.32 112.363 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -75.23 -21.96 58.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 73.44 110.919 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.37 -32.48 5.71 Favored Glycine 0 N--CA 1.453 -0.185 0 C-N-CA 120.733 -0.746 . . . . 70.42 112.437 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.8 m -68.71 124.76 24.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.974 0.416 . . . . 64.51 110.871 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.3 m -89.58 126.59 35.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.106 -0.497 . . . . 65.35 111.119 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 80.4 mt -117.88 139.26 51.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 71.21 110.994 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.4 m -142.64 144.21 32.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 61.04 110.891 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -99.17 160.45 27.58 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.54 0.686 . . . . 74.14 111.183 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 -16.58 37.29 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.692 2.261 . . . . 71.53 112.281 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.8 t0 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 75.01 110.876 179.913 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.515 -0.234 . . . . 60.14 112.515 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 70.6 mt -71.7 114.84 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.858 0.361 . . . . 75.32 111.087 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.5 m -105.49 128.33 53.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 73.34 110.862 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -144.19 124.43 13.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 64.22 110.915 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.57 153.71 40.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 75.41 110.948 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -85.71 160.59 52.83 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.562 0.696 . . . . 75.04 110.879 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -15.2 36.94 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.682 2.254 . . . . 71.34 112.358 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -88.76 -22.1 23.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 75.24 110.886 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.96 16.03 10.22 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.777 -0.725 . . . . 62.1 112.427 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.2 m -90.7 151.82 21.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.895 0.378 . . . . 60.01 110.849 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.5 m -96.29 111.47 23.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 64.11 111.123 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 mp -134.96 144.1 47.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 72.23 110.865 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.3 m -131.5 165.31 23.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 62.1 110.884 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -103.29 160.47 26.06 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.618 0.723 . . . . 75.12 111.112 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.85 -18.25 36.7 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.721 2.28 . . . . 73.33 112.336 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 64.0 110.848 179.91 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.457 -0.257 . . . . 72.42 112.457 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 74.2 mt -69.75 116.61 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.351 . . . . 73.42 111.105 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -118.32 141.74 48.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 75.23 110.921 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -153.84 132.68 12.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 74.12 110.849 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.9 mtmm -102.91 131.41 49.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 62.32 110.891 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -85.45 160.61 53.56 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.607 0.718 . . . . 74.15 110.833 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -14.24 35.64 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.682 2.254 . . . . 73.12 112.363 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -75.91 -22.0 56.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 73.24 110.901 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.48 -33.64 5.16 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.7 -0.762 . . . . 73.21 112.498 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.26 130.94 44.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.937 0.399 . . . . 75.13 110.843 -179.721 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.7 t -97.73 131.7 44.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.481 . . . . 64.33 111.164 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.1 mp -125.14 117.4 23.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 74.24 110.962 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.6 m -114.01 141.21 47.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 74.44 110.838 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.36 160.43 37.06 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.588 0.709 . . . . 73.44 111.113 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -18.66 37.18 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.731 2.287 . . . . 73.42 112.348 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.2 t70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 74.25 110.911 179.951 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.431 -0.268 . . . . 71.32 112.431 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 66.9 mt -81.91 127.51 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.932 0.396 . . . . 73.33 111.117 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.9 m -115.08 137.22 52.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 55.51 110.88 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -135.94 137.62 41.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 75.21 110.874 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -93.99 132.77 38.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 71.34 110.889 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.41 160.48 53.95 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.638 0.732 . . . . 72.01 110.837 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -17.1 37.97 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.65 2.233 . . . . 74.34 112.408 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -75.68 -22.13 56.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 75.14 110.838 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 111.74 -30.38 7.84 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.755 -0.736 . . . . 24.03 112.46 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.7 p -59.91 147.72 37.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.93 0.395 . . . . 72.23 110.915 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 82.3 m -93.09 121.7 34.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.129 -0.487 . . . . 74.11 111.169 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mp -120.78 142.24 49.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 74.52 110.953 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 57.0 m -139.47 151.99 46.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 73.34 110.928 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -104.26 160.46 25.98 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.556 0.693 . . . . 62.31 111.097 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -15.05 37.04 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.656 2.237 . . . . 65.2 112.349 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 74.33 110.865 179.954 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.541 -0.224 . . . . 64.42 112.541 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 58.7 mt -65.34 139.87 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 72.21 111.135 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.1 m -140.63 122.86 15.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 71.33 110.873 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -141.22 159.12 42.89 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.167 -0.469 . . . . 73.1 110.859 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.3 ptpp? -115.66 137.71 51.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 74.12 110.876 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -80.04 160.61 68.2 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.64 0.733 . . . . 72.22 110.862 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.76 -17.12 37.73 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.665 2.244 . . . . 71.22 112.319 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -79.69 -22.06 43.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 74.12 110.878 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.53 17.85 10.17 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.704 -0.76 . . . . 75.32 112.496 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.5 p -98.92 138.01 36.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.917 0.389 . . . . 72.33 110.876 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -94.77 122.66 37.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 74.24 111.112 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.3 mt -136.94 141.23 42.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 75.44 110.864 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 45.2 m -139.97 144.0 36.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 74.42 110.898 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.24 160.42 51.65 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.607 0.718 . . . . 74.32 111.119 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -20.0 35.32 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.703 2.268 . . . . 73.1 112.3 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 72.52 110.83 179.931 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.481 -0.248 . . . . 73.41 112.481 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 69.6 mt -99.19 110.39 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.819 0.342 . . . . 74.42 111.114 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.6 m -111.16 123.21 49.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 74.52 110.917 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 30.5 p90 -145.87 133.38 20.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 75.42 110.837 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -90.02 139.96 30.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 73.44 110.867 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -88.96 160.55 43.25 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.586 0.707 . . . . 60.03 110.922 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.64 -16.62 38.14 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.694 2.263 . . . . 75.21 112.402 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -76.25 -22.04 55.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 72.51 110.859 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.11 -22.06 12.69 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.666 -0.778 . . . . 72.4 112.45 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.8 m -77.49 150.07 34.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.907 0.384 . . . . 75.22 110.923 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.4 t -102.72 133.56 47.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 72.21 111.167 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -128.92 114.28 16.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 74.53 110.871 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 m -113.47 144.72 42.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 75.42 110.906 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -98.98 160.5 27.57 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.579 0.704 . . . . 71.51 111.045 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -20.52 34.74 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.602 2.201 . . . . 74.45 112.359 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 62.41 110.884 179.922 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 N-CA-C 112.509 -0.236 . . . . 74.23 112.509 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 51.9 mm -99.4 111.89 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.88 0.371 . . . . 74.33 111.163 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -102.29 131.91 48.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 64.32 110.912 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -144.93 140.09 28.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 74.01 110.896 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -88.48 124.27 33.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 74.33 110.8 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -72.95 160.65 82.39 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.645 0.736 . . . . 64.32 110.872 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -14.95 36.89 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.639 2.226 . . . . 72.4 112.406 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -83.95 -22.25 31.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 74.21 110.896 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.44 -21.13 26.81 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.772 -0.728 . . . . 75.34 112.435 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.57 159.78 10.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.013 0.435 . . . . 72.05 110.82 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.2 m -103.31 112.63 25.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.053 -0.521 . . . . 74.43 111.111 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.1 mt -129.95 145.82 51.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 75.53 110.932 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.1 m -135.01 165.24 25.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 72.02 110.903 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -104.45 160.2 26.82 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.548 0.69 . . . . 75.15 111.122 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.66 -19.96 35.91 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.698 2.266 . . . . 74.51 112.377 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.199 -0.455 . . . . 64.15 110.89 179.907 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.248 0 N-CA-C 112.481 -0.248 . . . . 74.32 112.481 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 43.7 mm -84.88 142.23 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.882 0.373 . . . . 72.23 111.165 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.9 m -119.59 133.77 55.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 71.01 110.93 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.4 p90 -120.49 133.33 55.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 75.24 110.889 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.8 ttpt -103.7 136.32 43.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 74.13 110.941 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -88.69 160.6 43.98 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.583 0.706 . . . . 65.32 110.872 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 -23.45 30.96 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.689 2.259 . . . . 65.04 112.379 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -75.41 -22.02 57.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 74.02 110.863 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.67 16.76 11.26 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.818 -0.706 . . . . 74.14 112.496 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.0 m -87.2 130.49 34.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.911 0.386 . . . . 71.21 110.861 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.7 m -96.46 113.15 24.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 74.24 111.166 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 66.8 mt -132.49 140.76 48.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 74.3 110.882 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 57.7 m -120.25 148.82 43.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 65.54 110.901 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -93.45 160.38 33.2 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-O 121.541 0.686 . . . . 74.5 111.135 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -17.39 37.77 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.716 2.277 . . . . 74.23 112.368 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.8 t70 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 71.03 110.834 179.933 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.511 -0.236 . . . . 71.34 112.511 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 44.9 mm -99.46 117.94 45.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.9 0.381 . . . . 71.14 111.111 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -114.85 128.64 56.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 71.35 110.869 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.8 p90 -145.41 145.81 31.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 73.45 110.875 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.8 mtmm -93.75 123.46 37.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 75.43 110.886 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.98 160.63 77.36 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.552 0.691 . . . . 74.52 110.893 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.74 -20.02 35.46 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.648 2.232 . . . . 63.2 112.335 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -76.72 -22.17 54.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 71.22 110.873 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.13 -19.89 19.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.74 . . . . 70.5 112.532 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.6 m -70.48 152.05 44.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.954 0.407 . . . . 63.21 110.847 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.8 m -97.06 129.52 44.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 71.11 111.176 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.2 tp -134.21 144.36 48.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 75.51 110.914 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.9 m -134.84 155.7 50.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 73.24 110.846 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -103.23 160.38 26.36 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.513 0.673 . . . . 73.15 111.149 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 -20.23 35.04 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.721 2.281 . . . . 74.03 112.31 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 73.2 110.826 179.961 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.505 -0.238 . . . . 74.53 112.505 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 55.7 mt -76.39 143.05 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.808 0.337 . . . . 75.21 111.114 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -134.08 159.87 39.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 74.14 110.886 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -139.07 165.26 27.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 73.14 110.886 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 35.9 mtmt -134.13 103.98 6.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 75.32 110.868 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -83.88 160.55 57.96 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.608 0.718 . . . . 74.44 110.814 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -15.43 37.26 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.703 2.269 . . . . 73.15 112.317 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -77.78 -22.09 50.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 74.54 110.849 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.41 -29.71 9.71 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.682 -0.77 . . . . 74.55 112.521 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.6 m -57.86 126.65 28.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.89 0.376 . . . . 64.25 110.872 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -84.07 111.64 19.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 71.21 111.117 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.0 tp -96.25 109.15 21.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.177 -0.465 . . . . 74.42 110.881 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.0 m -117.63 140.01 50.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 74.24 110.89 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -99.68 160.49 27.22 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.655 0.74 . . . . 71.31 111.06 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 -12.1 32.05 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.627 2.218 . . . . 65.54 112.328 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 72.21 110.874 179.89 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.499 -0.24 . . . . 71.01 112.499 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 30.8 mt -99.57 115.73 41.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.838 0.351 . . . . 74.12 111.155 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -105.7 140.82 38.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 73.2 110.84 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -115.69 162.78 16.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 74.41 110.837 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -135.81 99.58 4.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.069 -0.514 . . . . 71.14 110.908 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -73.63 160.43 82.2 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.616 0.722 . . . . 61.21 110.888 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -28.29 25.49 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.742 2.295 . . . . 71.34 112.369 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -75.42 -22.15 57.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 73.11 110.871 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.5 -16.1 19.53 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.715 -0.755 . . . . 75.02 112.477 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.6 m -57.13 128.47 37.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.93 0.395 . . . . 70.21 110.828 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.2 m -95.87 120.08 35.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 72.11 111.162 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 tt -120.67 115.53 23.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 75.34 110.865 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.9 m -112.06 147.95 34.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 74.2 110.938 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -101.93 160.49 26.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.576 0.703 . . . . 72.51 111.103 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -12.44 32.93 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.639 2.226 . . . . 74.31 112.407 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 65.34 110.822 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.494 -0.243 . . . . 63.32 112.494 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 58.4 mt -99.55 117.04 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.885 0.374 . . . . 74.44 111.093 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.0 m -96.88 121.23 38.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 71.53 110.849 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -115.51 153.47 31.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 73.14 110.834 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.0 ptpp? -110.92 95.86 5.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.087 -0.506 . . . . 74.24 110.879 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -56.48 157.95 8.84 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.665 0.745 . . . . 73.51 110.868 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -13.92 35.37 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.727 2.284 . . . . 70.43 112.326 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -76.03 -22.16 56.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 74.52 110.888 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.68 20.58 36.79 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.793 -0.718 . . . . 61.12 112.479 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.8 m -98.84 151.95 20.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.901 0.381 . . . . 71.12 110.871 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.1 m -90.65 112.74 24.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 75.34 111.129 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mt -137.32 146.49 44.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 73.24 110.911 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 23.2 m -138.69 154.84 48.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 74.22 110.877 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -97.72 160.53 28.37 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.56 0.695 . . . . 70.41 111.081 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -30.58 21.82 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.619 2.212 . . . . 75.55 112.333 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 54.4 110.924 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.55 -0.22 . . . . 74.35 112.55 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 50.1 mm -99.56 123.42 52.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.874 0.368 . . . . 71.34 111.142 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.9 m -122.1 126.82 49.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 75.54 110.896 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -142.83 144.5 32.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 73.41 110.807 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.7 mtpp -86.32 106.62 17.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 75.52 110.883 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.77 160.54 19.25 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.525 0.679 . . . . 74.24 110.903 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -16.34 37.25 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.665 2.244 . . . . 54.43 112.347 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -75.33 -22.04 57.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 73.43 110.947 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.02 -35.75 4.76 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.778 -0.725 . . . . 63.4 112.463 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.5 t -60.46 161.46 7.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.936 0.398 . . . . 72.15 110.848 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.7 m -98.71 117.55 33.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 75.41 111.138 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -121.74 139.03 54.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 74.31 110.922 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.2 m -131.03 155.9 46.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 54.54 110.855 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -105.33 160.38 26.22 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.541 0.686 . . . . 74.41 111.078 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -23.63 30.72 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.688 2.258 . . . . 73.01 112.332 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 73.31 110.862 179.935 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.434 0 N-CA-C 112.518 -0.233 . . . . 74.41 112.518 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 44.8 mt -74.32 117.28 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.858 0.361 . . . . 74.54 111.153 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.0 m -101.82 130.04 48.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 64.44 110.912 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -132.6 156.36 47.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 64.44 110.863 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.3 mtmt -101.49 132.35 47.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 75.44 110.878 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -88.76 160.58 43.79 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 121.627 0.727 . . . . 75.42 110.813 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -18.12 37.31 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.666 2.244 . . . . 74.41 112.369 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -78.58 -22.14 47.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 72.21 110.89 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.58 -21.08 37.76 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.695 -0.764 . . . . 74.41 112.482 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.4 p -65.13 155.31 35.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.98 0.419 . . . . 73.22 110.826 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.5 m -92.6 112.29 24.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.063 -0.517 . . . . 72.55 111.158 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 tt -129.48 120.73 25.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 73.44 110.92 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 54.6 m -113.43 150.74 32.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 72.23 110.941 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.56 160.43 67.22 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.576 0.703 . . . . 53.11 111.109 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -21.53 33.4 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.742 2.295 . . . . 71.43 112.361 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 72.43 110.898 179.879 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.49 -0.244 . . . . 74.32 112.49 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 17.2 pt -74.06 148.36 8.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.905 0.383 . . . . 71.53 111.068 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -128.33 136.47 51.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 74.53 110.896 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -147.99 133.31 18.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 74.52 110.872 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.5 ptmt -88.62 129.53 35.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 74.33 110.882 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -70.41 160.53 80.94 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.651 0.738 . . . . 71.03 110.786 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -18.2 37.1 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.643 2.229 . . . . 71.33 112.299 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -75.41 -21.87 57.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 75.41 110.897 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.75 -19.9 15.6 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.753 -0.737 . . . . 72.23 112.505 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.5 p -72.99 148.23 44.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.941 0.401 . . . . 74.35 110.929 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.2 t -91.26 130.49 37.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 70.32 111.155 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.5 tp -132.94 147.43 52.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 65.14 110.928 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 36.2 m -139.23 146.11 40.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 72.02 110.889 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.14 161.11 36.01 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.597 0.713 . . . . 73.44 111.161 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -24.86 29.11 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.678 2.252 . . . . 74.2 112.312 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 70.35 110.878 179.96 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.45 -0.26 . . . . 60.31 112.45 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 68.5 mt -80.01 138.27 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.89 0.376 . . . . 75.53 111.181 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.0 m -121.72 160.61 24.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 73.3 110.893 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -131.26 137.97 49.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 74.54 110.86 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -122.32 108.8 13.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 74.4 110.924 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -88.91 160.53 43.45 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.616 0.722 . . . . 73.34 110.869 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -18.71 36.92 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.638 2.225 . . . . 74.45 112.403 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -75.39 -22.02 57.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 73.24 110.85 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.42 -14.87 39.16 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.777 -0.725 . . . . 74.14 112.533 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.5 p -57.0 133.35 54.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.941 0.4 . . . . 55.55 110.891 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.7 m -94.48 116.21 28.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.072 -0.513 . . . . 74.43 111.077 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -118.81 135.04 54.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 73.35 110.871 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 m -141.47 144.24 34.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 61.14 110.959 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -104.29 160.48 25.9 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.604 0.716 . . . . 75.12 111.075 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -15.9 37.4 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.662 2.242 . . . . 74.42 112.357 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.471 . . . . 63.24 110.89 179.949 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.541 -0.224 . . . . 64.01 112.541 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 46.3 mm -99.5 130.86 47.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.836 0.35 . . . . 74.32 111.127 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.6 m -131.69 121.11 23.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 74.41 110.866 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -136.64 150.37 48.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 74.44 110.907 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.9 mtmt -98.07 113.12 24.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 75.33 110.94 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.05 160.66 5.89 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.619 0.723 . . . . 61.53 110.843 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.82 -17.19 37.43 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.688 2.259 . . . . 75.24 112.306 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -78.13 -21.94 49.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 74.31 110.928 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.62 -24.39 10.37 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.735 -0.745 . . . . 33.01 112.496 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.3 t -69.2 157.63 36.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.97 0.415 . . . . 75.15 110.826 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.1 t -103.78 137.2 42.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.106 -0.497 . . . . 63.54 111.18 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.8 mt -136.2 138.33 41.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 75.15 110.86 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.7 m -127.76 148.53 50.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 65.22 110.832 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -104.24 160.35 26.33 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.615 0.721 . . . . 74.21 111.093 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -17.13 37.56 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.642 2.228 . . . . 74.4 112.391 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.9 t0 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 63.3 110.898 179.904 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.49 -0.244 . . . . 54.35 112.49 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 48.3 mt -65.4 115.39 3.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.889 0.376 . . . . 74.4 111.145 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.6 m -128.34 139.11 52.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 74.3 110.831 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -146.47 138.31 24.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 74.13 110.822 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.0 ttpp -84.85 122.86 29.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 72.32 110.892 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -88.92 156.59 49.44 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.676 0.75 . . . . 75.3 110.862 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -14.79 36.44 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.657 2.238 . . . . 74.31 112.315 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -75.29 -22.1 57.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 73.02 110.882 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.68 -23.44 35.71 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.705 -0.76 . . . . 74.25 112.504 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.9 m -64.83 152.59 42.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.947 0.403 . . . . 65.5 110.809 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.0 m -93.58 120.49 33.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 71.42 111.196 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 tt -127.49 130.17 48.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 65.31 110.896 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.4 m -139.64 152.43 46.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 64.32 110.895 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -97.01 160.38 29.23 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.558 0.694 . . . . 73.02 111.133 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.78 -17.43 37.49 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.67 2.247 . . . . 74.33 112.355 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 63.3 110.896 179.899 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.462 -0.255 . . . . 63.23 112.462 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 44.5 mm -99.65 110.21 26.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.941 0.401 . . . . 75.43 111.091 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -103.85 141.14 36.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 74.21 110.895 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -114.22 137.13 52.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 73.15 110.942 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -113.85 97.3 6.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 72.4 110.89 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -84.4 160.53 56.62 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.652 0.739 . . . . 63.12 110.871 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 -19.9 35.81 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.673 2.249 . . . . 72.14 112.378 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -75.37 -22.08 57.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 74.43 110.855 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.79 23.62 45.31 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.729 -0.748 . . . . 74.53 112.49 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.9 p -80.37 159.77 25.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.976 0.417 . . . . 63.1 110.865 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.6 m -96.5 107.12 19.48 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.141 -0.482 . . . . 73.11 111.156 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.9 mt -133.69 125.94 29.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 73.04 110.969 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.0 m -143.73 148.97 36.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 74.44 110.853 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -105.03 160.52 25.69 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.612 0.72 . . . . 73.24 111.103 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -15.14 36.75 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.669 2.246 . . . . 74.51 112.305 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 65.22 110.841 179.942 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 N-CA-C 112.397 -0.281 . . . . 61.15 112.397 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 55.6 mt -99.56 127.15 52.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.849 0.357 . . . . 74.15 111.161 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.2 m -109.49 159.2 17.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 75.24 110.803 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -136.67 167.46 21.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 70.53 110.93 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.0 mtpp -134.89 115.43 13.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 74.22 110.879 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.15 156.54 51.64 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.593 0.711 . . . . 53.44 110.938 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -16.11 37.41 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.716 2.277 . . . . 73.53 112.335 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -75.27 -22.08 58.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 75.04 110.881 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.48 -25.14 11.42 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.74 -0.743 . . . . 64.0 112.494 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.2 m -67.62 143.27 56.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.03 0.443 . . . . 75.44 110.797 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.7 t -99.51 132.67 44.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.118 -0.492 . . . . 72.44 111.142 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.6 tp -114.52 146.76 40.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 74.1 110.882 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 m -141.56 142.45 33.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 71.42 110.887 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -101.32 160.51 26.4 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.606 0.717 . . . . 73.04 111.103 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -13.55 34.98 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.713 2.276 . . . . 73.51 112.361 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.31 -0.404 . . . . 73.32 110.876 179.947 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.482 -0.247 . . . . 65.32 112.482 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 32.2 mm -77.22 132.6 32.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.891 0.377 . . . . 75.32 111.113 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.3 m -121.27 153.5 37.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 61.34 110.847 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -123.33 149.15 45.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 73.52 110.933 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.75 98.76 6.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 74.13 110.922 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -86.17 137.01 35.22 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.619 0.723 . . . . 75.44 110.821 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -10.08 27.63 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.663 2.242 . . . . 74.32 112.363 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -75.23 -21.96 58.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 73.44 110.919 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.37 -32.48 5.71 Favored Glycine 0 N--CA 1.453 -0.185 0 C-N-CA 120.733 -0.746 . . . . 70.42 112.437 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.8 m -68.71 124.76 24.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.974 0.416 . . . . 64.51 110.871 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.3 m -89.58 126.59 35.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.106 -0.497 . . . . 65.35 111.119 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 80.4 mt -117.88 139.26 51.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 71.21 110.994 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.4 m -142.64 144.21 32.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 61.04 110.891 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -99.17 160.45 27.58 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.54 0.686 . . . . 74.14 111.183 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 -16.58 37.29 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.692 2.261 . . . . 71.53 112.281 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.8 t0 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 75.01 110.876 179.913 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.515 -0.234 . . . . 60.14 112.515 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 70.6 mt -71.7 114.84 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.858 0.361 . . . . 75.32 111.087 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.5 m -105.49 128.33 53.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 73.34 110.862 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -144.19 124.43 13.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 64.22 110.915 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.57 153.71 40.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 75.41 110.948 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -85.71 160.59 52.83 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.562 0.696 . . . . 75.04 110.879 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -15.2 36.94 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.682 2.254 . . . . 71.34 112.358 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -88.76 -22.1 23.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 75.24 110.886 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.96 16.03 10.22 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.777 -0.725 . . . . 62.1 112.427 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.2 m -90.7 151.82 21.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.895 0.378 . . . . 60.01 110.849 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.5 m -96.29 111.47 23.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 64.11 111.123 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 mp -134.96 144.1 47.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 72.23 110.865 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.3 m -131.5 165.31 23.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 62.1 110.884 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -103.29 160.47 26.06 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.618 0.723 . . . . 75.12 111.112 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.85 -18.25 36.7 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.721 2.28 . . . . 73.33 112.336 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 64.0 110.848 179.91 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.457 -0.257 . . . . 72.42 112.457 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 74.2 mt -69.75 116.61 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.351 . . . . 73.42 111.105 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -118.32 141.74 48.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 75.23 110.921 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -153.84 132.68 12.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 74.12 110.849 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.9 mtmm -102.91 131.41 49.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 62.32 110.891 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -85.45 160.61 53.56 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.607 0.718 . . . . 74.15 110.833 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -14.24 35.64 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.682 2.254 . . . . 73.12 112.363 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -75.91 -22.0 56.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 73.24 110.901 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.48 -33.64 5.16 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.7 -0.762 . . . . 73.21 112.498 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.26 130.94 44.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.937 0.399 . . . . 75.13 110.843 -179.721 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.7 t -97.73 131.7 44.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.481 . . . . 64.33 111.164 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.1 mp -125.14 117.4 23.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 74.24 110.962 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.6 m -114.01 141.21 47.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 74.44 110.838 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.36 160.43 37.06 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.588 0.709 . . . . 73.44 111.113 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -18.66 37.18 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.731 2.287 . . . . 73.42 112.348 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.2 t70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 74.25 110.911 179.951 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.431 -0.268 . . . . 71.32 112.431 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 66.9 mt -81.91 127.51 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.932 0.396 . . . . 73.33 111.117 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.9 m -115.08 137.22 52.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 55.51 110.88 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -135.94 137.62 41.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 75.21 110.874 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -93.99 132.77 38.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 71.34 110.889 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.41 160.48 53.95 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.638 0.732 . . . . 72.01 110.837 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -17.1 37.97 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.65 2.233 . . . . 74.34 112.408 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -75.68 -22.13 56.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 75.14 110.838 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 111.74 -30.38 7.84 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.755 -0.736 . . . . 24.03 112.46 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.7 p -59.91 147.72 37.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.93 0.395 . . . . 72.23 110.915 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 82.3 m -93.09 121.7 34.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.129 -0.487 . . . . 74.11 111.169 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mp -120.78 142.24 49.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 74.52 110.953 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 57.0 m -139.47 151.99 46.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 73.34 110.928 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -104.26 160.46 25.98 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.556 0.693 . . . . 62.31 111.097 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -15.05 37.04 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.656 2.237 . . . . 65.2 112.349 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 74.33 110.865 179.954 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.541 -0.224 . . . . 64.42 112.541 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 58.7 mt -65.34 139.87 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 72.21 111.135 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.1 m -140.63 122.86 15.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 71.33 110.873 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -141.22 159.12 42.89 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.167 -0.469 . . . . 73.1 110.859 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.3 ptpp? -115.66 137.71 51.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 74.12 110.876 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -80.04 160.61 68.2 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.64 0.733 . . . . 72.22 110.862 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.76 -17.12 37.73 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.665 2.244 . . . . 71.22 112.319 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -79.69 -22.06 43.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 74.12 110.878 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.53 17.85 10.17 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.704 -0.76 . . . . 75.32 112.496 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.5 p -98.92 138.01 36.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.917 0.389 . . . . 72.33 110.876 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -94.77 122.66 37.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 74.24 111.112 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.3 mt -136.94 141.23 42.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 75.44 110.864 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 45.2 m -139.97 144.0 36.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 74.42 110.898 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.24 160.42 51.65 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.607 0.718 . . . . 74.32 111.119 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -20.0 35.32 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.703 2.268 . . . . 73.1 112.3 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 72.52 110.83 179.931 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.481 -0.248 . . . . 73.41 112.481 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 69.6 mt -99.19 110.39 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.819 0.342 . . . . 74.42 111.114 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.6 m -111.16 123.21 49.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 74.52 110.917 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 30.5 p90 -145.87 133.38 20.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 75.42 110.837 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -90.02 139.96 30.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 73.44 110.867 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -88.96 160.55 43.25 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.586 0.707 . . . . 60.03 110.922 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.64 -16.62 38.14 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.694 2.263 . . . . 75.21 112.402 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -76.25 -22.04 55.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 72.51 110.859 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.11 -22.06 12.69 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.666 -0.778 . . . . 72.4 112.45 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.8 m -77.49 150.07 34.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.907 0.384 . . . . 75.22 110.923 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.4 t -102.72 133.56 47.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 72.21 111.167 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -128.92 114.28 16.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 74.53 110.871 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 m -113.47 144.72 42.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 75.42 110.906 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -98.98 160.5 27.57 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.579 0.704 . . . . 71.51 111.045 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 -20.52 34.74 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.602 2.201 . . . . 74.45 112.359 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 62.41 110.884 179.922 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 N-CA-C 112.509 -0.236 . . . . 74.23 112.509 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 51.9 mm -99.4 111.89 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.88 0.371 . . . . 74.33 111.163 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -102.29 131.91 48.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 64.32 110.912 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -144.93 140.09 28.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 74.01 110.896 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -88.48 124.27 33.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 74.33 110.8 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -72.95 160.65 82.39 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.645 0.736 . . . . 64.32 110.872 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -14.95 36.89 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.639 2.226 . . . . 72.4 112.406 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -83.95 -22.25 31.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 74.21 110.896 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.44 -21.13 26.81 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.772 -0.728 . . . . 75.34 112.435 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.57 159.78 10.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.013 0.435 . . . . 72.05 110.82 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.2 m -103.31 112.63 25.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.053 -0.521 . . . . 74.43 111.111 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.1 mt -129.95 145.82 51.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 75.53 110.932 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.1 m -135.01 165.24 25.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 72.02 110.903 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -104.45 160.2 26.82 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.548 0.69 . . . . 75.15 111.122 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.66 -19.96 35.91 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.698 2.266 . . . . 74.51 112.377 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.199 -0.455 . . . . 64.15 110.89 179.907 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.248 0 N-CA-C 112.481 -0.248 . . . . 74.32 112.481 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 43.7 mm -84.88 142.23 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.882 0.373 . . . . 63.15 111.165 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.9 m -119.59 133.77 55.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 60.14 110.93 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.4 p90 -120.49 133.33 55.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 74.41 110.889 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.8 ttpt -103.7 136.32 43.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 74.13 110.941 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -88.69 160.6 43.98 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.583 0.706 . . . . 63.22 110.872 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 -23.45 30.96 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.689 2.259 . . . . 65.04 112.379 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -75.41 -22.02 57.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 74.02 110.863 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.67 16.76 11.26 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.818 -0.706 . . . . 74.14 112.496 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.0 m -87.2 130.49 34.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.911 0.386 . . . . 70.01 110.861 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.7 m -96.46 113.15 24.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 60.14 111.166 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 66.8 mt -132.49 140.76 48.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 53.44 110.882 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 57.7 m -120.25 148.82 43.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 65.54 110.901 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.568 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -93.45 160.38 33.2 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-O 121.541 0.686 . . . . 74.5 111.135 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.568 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 54.2 Cg_endo -69.72 -17.39 37.77 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.716 2.277 . . . . 62.11 112.368 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.8 t70 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 71.0 110.834 179.933 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.511 -0.236 . . . . 71.34 112.511 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 44.9 mm -99.46 117.94 45.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.9 0.381 . . . . 71.14 111.111 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -114.85 128.64 56.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 71.35 110.869 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.8 p90 -145.41 145.81 31.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 73.4 110.875 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.8 mtmm -93.75 123.46 37.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 63.12 110.886 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.98 160.63 77.36 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.552 0.691 . . . . 74.52 110.893 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.74 -20.02 35.46 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.648 2.232 . . . . 63.2 112.335 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -76.72 -22.17 54.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 71.22 110.873 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.13 -19.89 19.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.74 . . . . 70.5 112.532 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.6 m -70.48 152.05 44.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.954 0.407 . . . . 54.31 110.847 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.8 m -97.06 129.52 44.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 71.11 111.176 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.2 tp -134.21 144.36 48.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 75.51 110.914 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.9 m -134.84 155.7 50.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 71.11 110.846 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.573 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -103.23 160.38 26.36 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.513 0.673 . . . . 72.11 111.149 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.573 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 53.0 Cg_endo -69.77 -20.23 35.04 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.721 2.281 . . . . 72.11 112.31 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 73.2 110.826 179.961 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.505 -0.238 . . . . 55.42 112.505 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 55.7 mt -76.39 143.05 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.808 0.337 . . . . 75.21 111.114 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -134.08 159.87 39.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 62.34 110.886 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -139.07 165.26 27.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 73.14 110.886 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 35.9 mtmt -134.13 103.98 6.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 71.44 110.868 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -83.88 160.55 57.96 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.608 0.718 . . . . 74.44 110.814 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -15.43 37.26 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.703 2.269 . . . . 73.15 112.317 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -77.78 -22.09 50.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 74.54 110.849 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.41 -29.71 9.71 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.682 -0.77 . . . . 74.55 112.521 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.6 m -57.86 126.65 28.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.89 0.376 . . . . 60.44 110.872 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -84.07 111.64 19.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 71.21 111.117 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.0 tp -96.25 109.15 21.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.177 -0.465 . . . . 72.03 110.881 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.0 m -117.63 140.01 50.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 53.15 110.89 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.565 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -99.68 160.49 27.22 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.655 0.74 . . . . 71.31 111.06 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.565 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 53.4 Cg_endo -69.85 -12.1 32.05 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.627 2.218 . . . . 65.54 112.328 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 72.21 110.874 179.89 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.499 -0.24 . . . . 61.13 112.499 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 30.8 mt -99.57 115.73 41.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.838 0.351 . . . . 74.12 111.155 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -105.7 140.82 38.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 65.13 110.84 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -115.69 162.78 16.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 72.51 110.837 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -135.81 99.58 4.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.069 -0.514 . . . . 63.1 110.908 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -73.63 160.43 82.2 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.616 0.722 . . . . 61.21 110.888 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -28.29 25.49 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.742 2.295 . . . . 71.34 112.369 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -75.42 -22.15 57.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 73.11 110.871 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.5 -16.1 19.53 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.715 -0.755 . . . . 75.02 112.477 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.6 m -57.13 128.47 37.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.93 0.395 . . . . 55.21 110.828 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.2 m -95.87 120.08 35.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 72.11 111.162 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 tt -120.67 115.53 23.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 62.21 110.865 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.9 m -112.06 147.95 34.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 73.44 110.938 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.579 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -101.93 160.49 26.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.576 0.703 . . . . 72.51 111.103 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.579 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 54.3 Cg_endo -69.75 -12.44 32.93 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.639 2.226 . . . . 74.31 112.407 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 55.55 110.822 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.494 -0.243 . . . . 51.55 112.494 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 58.4 mt -99.55 117.04 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.885 0.374 . . . . 60.42 111.093 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.0 m -96.88 121.23 38.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 42.13 110.849 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -115.51 153.47 31.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 73.14 110.834 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.0 ptpp? -110.92 95.86 5.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.087 -0.506 . . . . 74.24 110.879 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -56.48 157.95 8.84 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.665 0.745 . . . . 73.51 110.868 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -13.92 35.37 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.727 2.284 . . . . 53.44 112.326 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -76.03 -22.16 56.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 62.34 110.888 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.68 20.58 36.79 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.793 -0.718 . . . . 61.12 112.479 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.8 m -98.84 151.95 20.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.901 0.381 . . . . 65.03 110.871 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.1 m -90.65 112.74 24.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 74.04 111.129 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mt -137.32 146.49 44.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 73.24 110.911 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 23.2 m -138.69 154.84 48.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 74.22 110.877 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.576 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -97.72 160.53 28.37 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.56 0.695 . . . . 70.41 111.081 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.576 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 53.4 Cg_endo -69.81 -30.58 21.82 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.619 2.212 . . . . 75.55 112.333 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 54.4 110.924 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.55 -0.22 . . . . 74.35 112.55 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 50.1 mm -99.56 123.42 52.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.874 0.368 . . . . 71.34 111.142 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.9 m -122.1 126.82 49.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 61.14 110.896 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -142.83 144.5 32.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 73.41 110.807 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.7 mtpp -86.32 106.62 17.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 62.5 110.883 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.77 160.54 19.25 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.525 0.679 . . . . 72.14 110.903 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -16.34 37.25 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.665 2.244 . . . . 54.43 112.347 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -75.33 -22.04 57.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 73.43 110.947 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.02 -35.75 4.76 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.778 -0.725 . . . . 23.22 112.463 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.5 t -60.46 161.46 7.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.936 0.398 . . . . 72.15 110.848 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.408 ' C ' HD22 ' A' ' 12' ' ' LEU . 27.7 m -98.71 117.55 33.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 75.41 111.138 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.408 HD22 ' C ' ' A' ' 11' ' ' THR . 4.5 mm? -121.74 139.03 54.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 74.31 110.922 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.2 m -131.03 155.9 46.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 44.24 110.855 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.581 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -105.33 160.38 26.22 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.541 0.686 . . . . 74.41 111.078 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.581 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 53.7 Cg_endo -69.73 -23.63 30.72 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.688 2.258 . . . . 71.03 112.332 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 73.31 110.862 179.935 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.434 0 N-CA-C 112.518 -0.233 . . . . 74.41 112.518 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 44.8 mt -74.32 117.28 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.858 0.361 . . . . 71.44 111.153 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.0 m -101.82 130.04 48.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 61.05 110.912 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.46 ' HE1' ' HB2' ' A' ' 14' ' ' ALA . 28.1 p90 -132.6 156.36 47.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 62.2 110.863 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.3 mtmt -101.49 132.35 47.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 75.44 110.878 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -88.76 160.58 43.79 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 121.627 0.727 . . . . 64.23 110.813 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -18.12 37.31 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.666 2.244 . . . . 74.41 112.369 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -78.58 -22.14 47.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 72.21 110.89 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.58 -21.08 37.76 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.695 -0.764 . . . . 74.41 112.482 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.4 p -65.13 155.31 35.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.98 0.419 . . . . 65.04 110.826 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.5 m -92.6 112.29 24.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.063 -0.517 . . . . 72.4 111.158 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 tt -129.48 120.73 25.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 73.44 110.92 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 54.6 m -113.43 150.74 32.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 72.23 110.941 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.576 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -80.56 160.43 67.22 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.576 0.703 . . . . 51.45 111.109 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.576 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 53.9 Cg_endo -69.75 -21.53 33.4 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.742 2.295 . . . . 62.43 112.361 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 72.43 110.898 179.879 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.49 -0.244 . . . . 74.32 112.49 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.678 HG13 ' HB3' ' A' ' 14' ' ' ALA . 17.2 pt -74.06 148.36 8.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.905 0.383 . . . . 70.11 111.068 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -128.33 136.47 51.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 74.53 110.896 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -147.99 133.31 18.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 74.02 110.872 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.5 ptmt -88.62 129.53 35.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 74.33 110.882 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -70.41 160.53 80.94 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.651 0.738 . . . . 63.33 110.786 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -18.2 37.1 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.643 2.229 . . . . 71.33 112.299 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -75.41 -21.87 57.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 74.41 110.897 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.75 -19.9 15.6 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.753 -0.737 . . . . 71.21 112.505 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.5 p -72.99 148.23 44.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.941 0.401 . . . . 73.51 110.929 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.2 t -91.26 130.49 37.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 62.11 111.155 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.5 tp -132.94 147.43 52.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 65.14 110.928 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 36.2 m -139.23 146.11 40.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 72.02 110.889 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.678 ' HB3' HG13 ' A' ' 2' ' ' ILE . . . -91.14 161.11 36.01 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.597 0.713 . . . . 73.44 111.161 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.598 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 53.2 Cg_endo -69.78 -24.86 29.11 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.678 2.252 . . . . 74.2 112.312 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 70.35 110.878 179.96 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.45 -0.26 . . . . 23.04 112.45 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 68.5 mt -80.01 138.27 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.89 0.376 . . . . 74.34 111.181 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.0 m -121.72 160.61 24.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 73.3 110.893 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -131.26 137.97 49.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 74.54 110.86 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -122.32 108.8 13.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 74.4 110.924 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -88.91 160.53 43.45 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.616 0.722 . . . . 73.34 110.869 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -18.71 36.92 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.638 2.225 . . . . 74.31 112.403 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -75.39 -22.02 57.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 63.43 110.85 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.42 -14.87 39.16 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.777 -0.725 . . . . 42.44 112.533 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.5 p -57.0 133.35 54.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.941 0.4 . . . . 55.55 110.891 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.7 m -94.48 116.21 28.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.072 -0.513 . . . . 73.32 111.077 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -118.81 135.04 54.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 73.35 110.871 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 m -141.47 144.24 34.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 50.22 110.959 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.577 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -104.29 160.48 25.9 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.604 0.716 . . . . 75.12 111.075 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.577 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 53.9 Cg_endo -69.73 -15.9 37.4 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.662 2.242 . . . . 74.42 112.357 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.471 . . . . 53.52 110.89 179.949 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.541 -0.224 . . . . 64.01 112.541 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 46.3 mm -99.5 130.86 47.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.836 0.35 . . . . 74.32 111.127 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.6 m -131.69 121.11 23.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 64.1 110.866 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -136.64 150.37 48.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 74.44 110.907 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.9 mtmt -98.07 113.12 24.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 64.2 110.94 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.05 160.66 5.89 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.619 0.723 . . . . 41.42 110.843 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.82 -17.19 37.43 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.688 2.259 . . . . 75.24 112.306 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -78.13 -21.94 49.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 74.31 110.928 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.62 -24.39 10.37 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.735 -0.745 . . . . 33.01 112.496 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.3 t -69.2 157.63 36.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.97 0.415 . . . . 52.03 110.826 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.1 t -103.78 137.2 42.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.106 -0.497 . . . . 53.53 111.18 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.8 mt -136.2 138.33 41.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 75.15 110.86 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.7 m -127.76 148.53 50.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 65.22 110.832 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.584 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -104.24 160.35 26.33 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.615 0.721 . . . . 71.41 111.093 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.584 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 53.8 Cg_endo -69.8 -17.13 37.56 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.642 2.228 . . . . 74.4 112.391 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.9 t0 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 63.3 110.898 179.904 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.49 -0.244 . . . . 54.35 112.49 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 48.3 mt -65.4 115.39 3.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.889 0.376 . . . . 74.4 111.145 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.6 m -128.34 139.11 52.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 74.3 110.831 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -146.47 138.31 24.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 74.13 110.822 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.0 ttpp -84.85 122.86 29.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 72.32 110.892 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -88.92 156.59 49.44 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.676 0.75 . . . . 75.3 110.862 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -14.79 36.44 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.657 2.238 . . . . 71.33 112.315 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -75.29 -22.1 57.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 53.21 110.882 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.68 -23.44 35.71 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.705 -0.76 . . . . 74.25 112.504 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.9 m -64.83 152.59 42.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.947 0.403 . . . . 65.5 110.809 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.0 m -93.58 120.49 33.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 71.42 111.196 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 tt -127.49 130.17 48.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 65.31 110.896 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.4 m -139.64 152.43 46.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 64.32 110.895 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.578 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -97.01 160.38 29.23 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.558 0.694 . . . . 32.45 111.133 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.578 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 52.8 Cg_endo -69.78 -17.43 37.49 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.67 2.247 . . . . 74.33 112.355 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 63.3 110.896 179.899 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.462 -0.255 . . . . 63.23 112.462 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 44.5 mm -99.65 110.21 26.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.941 0.401 . . . . 74.34 111.091 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -103.85 141.14 36.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 74.21 110.895 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -114.22 137.13 52.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 60.41 110.942 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -113.85 97.3 6.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 70.25 110.89 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -84.4 160.53 56.62 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.652 0.739 . . . . 63.12 110.871 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 -19.9 35.81 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.673 2.249 . . . . 72.14 112.378 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -75.37 -22.08 57.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 74.43 110.855 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.79 23.62 45.31 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.729 -0.748 . . . . 74.53 112.49 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.9 p -80.37 159.77 25.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.976 0.417 . . . . 63.1 110.865 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.6 m -96.5 107.12 19.48 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.141 -0.482 . . . . 73.11 111.156 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.9 mt -133.69 125.94 29.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 73.04 110.969 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.0 m -143.73 148.97 36.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 74.44 110.853 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.593 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -105.03 160.52 25.69 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.612 0.72 . . . . 71.41 111.103 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.593 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 53.5 Cg_endo -69.81 -15.14 36.75 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.669 2.246 . . . . 74.51 112.305 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 63.41 110.841 179.942 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 N-CA-C 112.397 -0.281 . . . . 61.15 112.397 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 55.6 mt -99.56 127.15 52.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.849 0.357 . . . . 73.31 111.161 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.2 m -109.49 159.2 17.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 75.24 110.803 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -136.67 167.46 21.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 70.53 110.93 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.0 mtpp -134.89 115.43 13.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 74.22 110.879 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.15 156.54 51.64 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.593 0.711 . . . . 53.44 110.938 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -16.11 37.41 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.716 2.277 . . . . 73.53 112.335 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -75.27 -22.08 58.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 74.12 110.881 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.48 -25.14 11.42 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.74 -0.743 . . . . 62.42 112.494 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.2 m -67.62 143.27 56.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.03 0.443 . . . . 75.44 110.797 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.7 t -99.51 132.67 44.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.118 -0.492 . . . . 71.31 111.142 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.6 tp -114.52 146.76 40.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 74.1 110.882 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 m -141.56 142.45 33.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 34.12 110.887 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.58 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -101.32 160.51 26.4 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.606 0.717 . . . . 64.55 111.103 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.58 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 53.9 Cg_endo -69.7 -13.55 34.98 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.713 2.276 . . . . 73.51 112.361 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.31 -0.404 . . . . 63.24 110.876 179.947 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.482 -0.247 . . . . 64.14 112.482 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 32.2 mm -77.22 132.6 32.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.891 0.377 . . . . 74.12 111.113 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.3 m -121.27 153.5 37.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 52.43 110.847 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -123.33 149.15 45.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 72.34 110.933 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.75 98.76 6.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 74.13 110.922 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -86.17 137.01 35.22 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.619 0.723 . . . . 71.01 110.821 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -10.08 27.63 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.663 2.242 . . . . 74.32 112.363 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -75.23 -21.96 58.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 73.44 110.919 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.37 -32.48 5.71 Favored Glycine 0 N--CA 1.453 -0.185 0 C-N-CA 120.733 -0.746 . . . . 70.42 112.437 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.8 m -68.71 124.76 24.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.974 0.416 . . . . 64.51 110.871 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.3 m -89.58 126.59 35.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.106 -0.497 . . . . 65.35 111.119 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 80.4 mt -117.88 139.26 51.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 71.21 110.994 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.4 m -142.64 144.21 32.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 61.04 110.891 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.593 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -99.17 160.45 27.58 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.54 0.686 . . . . 73.52 111.183 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.593 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 52.9 Cg_endo -69.84 -16.58 37.29 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.692 2.261 . . . . 31.11 112.281 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.8 t0 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 75.01 110.876 179.913 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.515 -0.234 . . . . 34.4 112.515 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 70.6 mt -71.7 114.84 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.858 0.361 . . . . 55.0 111.087 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.5 m -105.49 128.33 53.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 73.34 110.862 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -144.19 124.43 13.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 64.22 110.915 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.57 153.71 40.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 75.41 110.948 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -85.71 160.59 52.83 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.562 0.696 . . . . 75.04 110.879 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -15.2 36.94 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.682 2.254 . . . . 53.12 112.358 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -88.76 -22.1 23.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 64.41 110.886 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.96 16.03 10.22 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.777 -0.725 . . . . 62.1 112.427 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.2 m -90.7 151.82 21.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.895 0.378 . . . . 60.01 110.849 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.5 m -96.29 111.47 23.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 64.11 111.123 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 mp -134.96 144.1 47.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 44.04 110.865 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.3 m -131.5 165.31 23.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 62.1 110.884 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.578 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -103.29 160.47 26.06 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.618 0.723 . . . . 75.12 111.112 179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.578 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 53.9 Cg_endo -69.85 -18.25 36.7 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.721 2.28 . . . . 73.33 112.336 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 41.25 110.848 179.91 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.457 -0.257 . . . . 72.42 112.457 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 74.2 mt -69.75 116.61 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.351 . . . . 72.32 111.105 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -118.32 141.74 48.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 75.23 110.921 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -153.84 132.68 12.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 65.41 110.849 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.9 mtmm -102.91 131.41 49.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 54.14 110.891 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -85.45 160.61 53.56 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.607 0.718 . . . . 54.1 110.833 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -14.24 35.64 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.682 2.254 . . . . 72.0 112.363 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -75.91 -22.0 56.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 73.24 110.901 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.48 -33.64 5.16 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.7 -0.762 . . . . 73.21 112.498 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.26 130.94 44.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.937 0.399 . . . . 75.13 110.843 -179.721 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.7 t -97.73 131.7 44.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.481 . . . . 64.11 111.164 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.1 mp -125.14 117.4 23.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 71.4 110.962 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.6 m -114.01 141.21 47.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 64.33 110.838 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.587 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -91.36 160.43 37.06 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.588 0.709 . . . . 73.44 111.113 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.587 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 54.3 Cg_endo -69.7 -18.66 37.18 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.731 2.287 . . . . 63.5 112.348 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.2 t70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 74.25 110.911 179.951 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.431 -0.268 . . . . 71.32 112.431 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 66.9 mt -81.91 127.51 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.932 0.396 . . . . 65.32 111.117 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.9 m -115.08 137.22 52.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 55.51 110.88 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -135.94 137.62 41.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 75.21 110.874 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -93.99 132.77 38.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 61.43 110.889 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.41 160.48 53.95 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.638 0.732 . . . . 72.01 110.837 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -17.1 37.97 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.65 2.233 . . . . 74.03 112.408 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -75.68 -22.13 56.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 75.14 110.838 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 111.74 -30.38 7.84 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.755 -0.736 . . . . 21.31 112.46 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.7 p -59.91 147.72 37.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.93 0.395 . . . . 72.23 110.915 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 82.3 m -93.09 121.7 34.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.129 -0.487 . . . . 74.11 111.169 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mp -120.78 142.24 49.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 74.52 110.953 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 57.0 m -139.47 151.99 46.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 73.34 110.928 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.584 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -104.26 160.46 25.98 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.556 0.693 . . . . 30.05 111.097 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.584 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 53.8 Cg_endo -69.72 -15.05 37.04 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.656 2.237 . . . . 61.31 112.349 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 74.33 110.865 179.954 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.541 -0.224 . . . . 64.42 112.541 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 58.7 mt -65.34 139.87 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 72.21 111.135 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.1 m -140.63 122.86 15.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 71.33 110.873 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -141.22 159.12 42.89 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.167 -0.469 . . . . 73.1 110.859 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.3 ptpp? -115.66 137.71 51.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 72.14 110.876 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -80.04 160.61 68.2 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.64 0.733 . . . . 71.5 110.862 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.76 -17.12 37.73 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.665 2.244 . . . . 71.22 112.319 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -79.69 -22.06 43.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 63.11 110.878 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.53 17.85 10.17 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.704 -0.76 . . . . 72.15 112.496 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.5 p -98.92 138.01 36.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.917 0.389 . . . . 72.33 110.876 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -94.77 122.66 37.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 74.24 111.112 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.3 mt -136.94 141.23 42.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 54.33 110.864 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 45.2 m -139.97 144.0 36.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 74.42 110.898 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.568 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -86.24 160.42 51.65 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.607 0.718 . . . . 74.32 111.119 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.568 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 54.0 Cg_endo -69.78 -20.0 35.32 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.703 2.268 . . . . 73.1 112.3 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 72.52 110.83 179.931 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.481 -0.248 . . . . 73.41 112.481 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 69.6 mt -99.19 110.39 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.819 0.342 . . . . 70.22 111.114 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.6 m -111.16 123.21 49.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 74.52 110.917 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 30.5 p90 -145.87 133.38 20.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 63.32 110.837 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -90.02 139.96 30.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 73.44 110.867 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -88.96 160.55 43.25 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.586 0.707 . . . . 60.03 110.922 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.64 -16.62 38.14 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.694 2.263 . . . . 75.21 112.402 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -76.25 -22.04 55.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 72.51 110.859 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.11 -22.06 12.69 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.666 -0.778 . . . . 71.21 112.45 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.8 m -77.49 150.07 34.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.907 0.384 . . . . 75.22 110.923 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.4 t -102.72 133.56 47.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 62.04 111.167 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -128.92 114.28 16.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 72.44 110.871 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 m -113.47 144.72 42.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 75.42 110.906 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.591 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -98.98 160.5 27.57 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.579 0.704 . . . . 51.32 111.045 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.591 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 54.3 Cg_endo -69.76 -20.52 34.74 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.602 2.201 . . . . 62.43 112.359 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 62.41 110.884 179.922 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 N-CA-C 112.509 -0.236 . . . . 74.23 112.509 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 51.9 mm -99.4 111.89 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.88 0.371 . . . . 44.32 111.163 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -102.29 131.91 48.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 64.32 110.912 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -144.93 140.09 28.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 74.01 110.896 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -88.48 124.27 33.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 71.0 110.8 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -72.95 160.65 82.39 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.645 0.736 . . . . 62.5 110.872 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -14.95 36.89 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.639 2.226 . . . . 72.4 112.406 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -83.95 -22.25 31.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 74.21 110.896 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.44 -21.13 26.81 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.772 -0.728 . . . . 61.44 112.435 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.57 159.78 10.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.013 0.435 . . . . 53.11 110.82 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.2 m -103.31 112.63 25.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.053 -0.521 . . . . 70.41 111.111 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.1 mt -129.95 145.82 51.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 75.53 110.932 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.1 m -135.01 165.24 25.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 43.23 110.903 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.56 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -104.45 160.2 26.82 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.548 0.69 . . . . 55.23 111.122 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.56 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 54.6 Cg_endo -69.66 -19.96 35.91 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.698 2.266 . . . . 71.44 112.377 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.199 -0.455 . . . . 61.43 110.89 179.907 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.248 0 N-CA-C 112.481 -0.248 . . . . 74.32 112.481 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 43.7 mm -84.88 142.23 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.882 0.373 . . . . 63.15 111.165 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.9 m -119.59 133.77 55.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 60.14 110.93 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.4 p90 -120.49 133.33 55.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 74.41 110.889 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.8 ttpt -103.7 136.32 43.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 74.13 110.941 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -88.69 160.6 43.98 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.583 0.706 . . . . 63.22 110.872 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 -23.45 30.96 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.689 2.259 . . . . 65.04 112.379 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -75.41 -22.02 57.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 74.02 110.863 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.67 16.76 11.26 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.818 -0.706 . . . . 74.14 112.496 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.0 m -87.2 130.49 34.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.911 0.386 . . . . 70.01 110.861 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.7 m -96.46 113.15 24.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 60.14 111.166 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 66.8 mt -132.49 140.76 48.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 53.44 110.882 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 57.7 m -120.25 148.82 43.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 65.54 110.901 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.568 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -93.45 160.38 33.2 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-O 121.541 0.686 . . . . 74.5 111.135 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.568 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 54.2 Cg_endo -69.72 -17.39 37.77 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.716 2.277 . . . . 62.11 112.368 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.8 t70 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 71.0 110.834 179.933 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.511 -0.236 . . . . 71.34 112.511 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 44.9 mm -99.46 117.94 45.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.9 0.381 . . . . 71.14 111.111 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -114.85 128.64 56.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 71.35 110.869 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.8 p90 -145.41 145.81 31.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 73.4 110.875 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.8 mtmm -93.75 123.46 37.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 63.12 110.886 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.98 160.63 77.36 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.552 0.691 . . . . 74.52 110.893 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.74 -20.02 35.46 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.648 2.232 . . . . 63.2 112.335 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -76.72 -22.17 54.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 71.22 110.873 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.13 -19.89 19.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.74 . . . . 70.5 112.532 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.6 m -70.48 152.05 44.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.954 0.407 . . . . 54.31 110.847 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.8 m -97.06 129.52 44.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 71.11 111.176 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.2 tp -134.21 144.36 48.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 75.51 110.914 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.9 m -134.84 155.7 50.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 71.11 110.846 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.573 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -103.23 160.38 26.36 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.513 0.673 . . . . 72.11 111.149 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.573 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 53.0 Cg_endo -69.77 -20.23 35.04 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.721 2.281 . . . . 72.11 112.31 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 73.2 110.826 179.961 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.505 -0.238 . . . . 55.42 112.505 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 55.7 mt -76.39 143.05 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.808 0.337 . . . . 75.21 111.114 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -134.08 159.87 39.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 62.34 110.886 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -139.07 165.26 27.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 73.14 110.886 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 35.9 mtmt -134.13 103.98 6.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 71.44 110.868 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -83.88 160.55 57.96 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.608 0.718 . . . . 74.44 110.814 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -15.43 37.26 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.703 2.269 . . . . 73.15 112.317 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -77.78 -22.09 50.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 74.54 110.849 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.41 -29.71 9.71 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.682 -0.77 . . . . 74.55 112.521 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.6 m -57.86 126.65 28.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.89 0.376 . . . . 60.44 110.872 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -84.07 111.64 19.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 71.21 111.117 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.0 tp -96.25 109.15 21.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.177 -0.465 . . . . 72.03 110.881 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.0 m -117.63 140.01 50.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 53.15 110.89 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.565 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -99.68 160.49 27.22 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.655 0.74 . . . . 71.31 111.06 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.565 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 53.4 Cg_endo -69.85 -12.1 32.05 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.627 2.218 . . . . 65.54 112.328 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 72.21 110.874 179.89 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.499 -0.24 . . . . 61.13 112.499 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 30.8 mt -99.57 115.73 41.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.838 0.351 . . . . 74.12 111.155 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -105.7 140.82 38.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 65.13 110.84 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -115.69 162.78 16.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 72.51 110.837 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -135.81 99.58 4.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.069 -0.514 . . . . 63.1 110.908 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -73.63 160.43 82.2 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.616 0.722 . . . . 61.21 110.888 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -28.29 25.49 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.742 2.295 . . . . 71.34 112.369 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -75.42 -22.15 57.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 73.11 110.871 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.5 -16.1 19.53 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.715 -0.755 . . . . 75.02 112.477 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.6 m -57.13 128.47 37.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.93 0.395 . . . . 55.21 110.828 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.2 m -95.87 120.08 35.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 72.11 111.162 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 tt -120.67 115.53 23.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 62.21 110.865 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.9 m -112.06 147.95 34.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 73.44 110.938 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.579 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -101.93 160.49 26.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.576 0.703 . . . . 72.51 111.103 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.579 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 54.3 Cg_endo -69.75 -12.44 32.93 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.639 2.226 . . . . 74.31 112.407 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 55.55 110.822 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.494 -0.243 . . . . 51.55 112.494 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 58.4 mt -99.55 117.04 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.885 0.374 . . . . 60.42 111.093 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.0 m -96.88 121.23 38.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 42.13 110.849 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -115.51 153.47 31.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 73.14 110.834 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.0 ptpp? -110.92 95.86 5.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.087 -0.506 . . . . 74.24 110.879 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -56.48 157.95 8.84 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.665 0.745 . . . . 73.51 110.868 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -13.92 35.37 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.727 2.284 . . . . 53.44 112.326 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -76.03 -22.16 56.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 62.34 110.888 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.68 20.58 36.79 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.793 -0.718 . . . . 61.12 112.479 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.8 m -98.84 151.95 20.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.901 0.381 . . . . 65.03 110.871 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.1 m -90.65 112.74 24.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 74.04 111.129 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mt -137.32 146.49 44.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 73.24 110.911 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 23.2 m -138.69 154.84 48.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 74.22 110.877 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.576 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -97.72 160.53 28.37 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.56 0.695 . . . . 70.41 111.081 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.576 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 53.4 Cg_endo -69.81 -30.58 21.82 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.619 2.212 . . . . 75.55 112.333 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 54.4 110.924 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.55 -0.22 . . . . 74.35 112.55 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 50.1 mm -99.56 123.42 52.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.874 0.368 . . . . 71.34 111.142 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.9 m -122.1 126.82 49.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 61.14 110.896 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -142.83 144.5 32.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 73.41 110.807 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.7 mtpp -86.32 106.62 17.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 62.5 110.883 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.77 160.54 19.25 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.525 0.679 . . . . 72.14 110.903 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -16.34 37.25 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.665 2.244 . . . . 54.43 112.347 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -75.33 -22.04 57.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 73.43 110.947 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.02 -35.75 4.76 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.778 -0.725 . . . . 23.22 112.463 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.5 t -60.46 161.46 7.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.936 0.398 . . . . 72.15 110.848 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.408 ' C ' HD22 ' A' ' 12' ' ' LEU . 27.7 m -98.71 117.55 33.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 75.41 111.138 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.408 HD22 ' C ' ' A' ' 11' ' ' THR . 4.5 mm? -121.74 139.03 54.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 74.31 110.922 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.2 m -131.03 155.9 46.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 44.24 110.855 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.581 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -105.33 160.38 26.22 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.541 0.686 . . . . 74.41 111.078 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.581 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 53.7 Cg_endo -69.73 -23.63 30.72 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.688 2.258 . . . . 71.03 112.332 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 73.31 110.862 179.935 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.434 0 N-CA-C 112.518 -0.233 . . . . 74.41 112.518 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 44.8 mt -74.32 117.28 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.858 0.361 . . . . 71.44 111.153 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.0 m -101.82 130.04 48.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 61.05 110.912 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.46 ' HE1' ' HB2' ' A' ' 14' ' ' ALA . 28.1 p90 -132.6 156.36 47.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 62.2 110.863 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.3 mtmt -101.49 132.35 47.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 75.44 110.878 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -88.76 160.58 43.79 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 121.627 0.727 . . . . 64.23 110.813 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -18.12 37.31 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.666 2.244 . . . . 74.41 112.369 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -78.58 -22.14 47.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 72.21 110.89 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.58 -21.08 37.76 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.695 -0.764 . . . . 74.41 112.482 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.4 p -65.13 155.31 35.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.98 0.419 . . . . 65.04 110.826 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.5 m -92.6 112.29 24.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.063 -0.517 . . . . 72.4 111.158 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 tt -129.48 120.73 25.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 73.44 110.92 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 54.6 m -113.43 150.74 32.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 72.23 110.941 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.576 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -80.56 160.43 67.22 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.576 0.703 . . . . 51.45 111.109 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.576 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 53.9 Cg_endo -69.75 -21.53 33.4 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.742 2.295 . . . . 62.43 112.361 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 72.43 110.898 179.879 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.49 -0.244 . . . . 74.32 112.49 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.678 HG13 ' HB3' ' A' ' 14' ' ' ALA . 17.2 pt -74.06 148.36 8.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.905 0.383 . . . . 70.11 111.068 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -128.33 136.47 51.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 74.53 110.896 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -147.99 133.31 18.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 74.02 110.872 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.5 ptmt -88.62 129.53 35.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 74.33 110.882 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -70.41 160.53 80.94 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.651 0.738 . . . . 63.33 110.786 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -18.2 37.1 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.643 2.229 . . . . 71.33 112.299 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -75.41 -21.87 57.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 74.41 110.897 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.75 -19.9 15.6 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.753 -0.737 . . . . 71.21 112.505 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.5 p -72.99 148.23 44.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.941 0.401 . . . . 73.51 110.929 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.2 t -91.26 130.49 37.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 62.11 111.155 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.5 tp -132.94 147.43 52.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 65.14 110.928 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 36.2 m -139.23 146.11 40.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 72.02 110.889 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.678 ' HB3' HG13 ' A' ' 2' ' ' ILE . . . -91.14 161.11 36.01 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.597 0.713 . . . . 73.44 111.161 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.598 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 53.2 Cg_endo -69.78 -24.86 29.11 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.678 2.252 . . . . 74.2 112.312 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 70.35 110.878 179.96 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.45 -0.26 . . . . 23.04 112.45 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 68.5 mt -80.01 138.27 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.89 0.376 . . . . 74.34 111.181 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.0 m -121.72 160.61 24.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 73.3 110.893 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -131.26 137.97 49.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 74.54 110.86 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -122.32 108.8 13.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 74.4 110.924 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -88.91 160.53 43.45 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.616 0.722 . . . . 73.34 110.869 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -18.71 36.92 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.638 2.225 . . . . 74.31 112.403 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -75.39 -22.02 57.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 63.43 110.85 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.42 -14.87 39.16 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.777 -0.725 . . . . 42.44 112.533 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.5 p -57.0 133.35 54.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.941 0.4 . . . . 55.55 110.891 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.7 m -94.48 116.21 28.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.072 -0.513 . . . . 73.32 111.077 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -118.81 135.04 54.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 73.35 110.871 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 m -141.47 144.24 34.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 50.22 110.959 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.577 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -104.29 160.48 25.9 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.604 0.716 . . . . 75.12 111.075 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.577 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 53.9 Cg_endo -69.73 -15.9 37.4 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.662 2.242 . . . . 74.42 112.357 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.471 . . . . 53.52 110.89 179.949 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.541 -0.224 . . . . 64.01 112.541 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 46.3 mm -99.5 130.86 47.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.836 0.35 . . . . 74.32 111.127 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.6 m -131.69 121.11 23.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 64.1 110.866 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -136.64 150.37 48.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 74.44 110.907 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.9 mtmt -98.07 113.12 24.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 64.2 110.94 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.05 160.66 5.89 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.619 0.723 . . . . 41.42 110.843 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.82 -17.19 37.43 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.688 2.259 . . . . 75.24 112.306 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -78.13 -21.94 49.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 74.31 110.928 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.62 -24.39 10.37 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.735 -0.745 . . . . 33.01 112.496 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.3 t -69.2 157.63 36.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.97 0.415 . . . . 52.03 110.826 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.1 t -103.78 137.2 42.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.106 -0.497 . . . . 53.53 111.18 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.8 mt -136.2 138.33 41.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 75.15 110.86 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.7 m -127.76 148.53 50.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 65.22 110.832 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.584 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -104.24 160.35 26.33 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.615 0.721 . . . . 71.41 111.093 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.584 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 53.8 Cg_endo -69.8 -17.13 37.56 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.642 2.228 . . . . 74.4 112.391 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.9 t0 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 63.3 110.898 179.904 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.49 -0.244 . . . . 54.35 112.49 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 48.3 mt -65.4 115.39 3.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.889 0.376 . . . . 74.4 111.145 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.6 m -128.34 139.11 52.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 74.3 110.831 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -146.47 138.31 24.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 74.13 110.822 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.0 ttpp -84.85 122.86 29.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 72.32 110.892 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -88.92 156.59 49.44 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.676 0.75 . . . . 75.3 110.862 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -14.79 36.44 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.657 2.238 . . . . 71.33 112.315 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -75.29 -22.1 57.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 53.21 110.882 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.68 -23.44 35.71 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.705 -0.76 . . . . 74.25 112.504 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.9 m -64.83 152.59 42.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.947 0.403 . . . . 65.5 110.809 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.0 m -93.58 120.49 33.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 71.42 111.196 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 tt -127.49 130.17 48.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 65.31 110.896 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.4 m -139.64 152.43 46.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 64.32 110.895 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.578 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -97.01 160.38 29.23 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.558 0.694 . . . . 32.45 111.133 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.578 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 52.8 Cg_endo -69.78 -17.43 37.49 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.67 2.247 . . . . 74.33 112.355 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 63.3 110.896 179.899 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.462 -0.255 . . . . 63.23 112.462 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 44.5 mm -99.65 110.21 26.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.941 0.401 . . . . 74.34 111.091 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -103.85 141.14 36.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 74.21 110.895 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -114.22 137.13 52.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 60.41 110.942 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -113.85 97.3 6.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 70.25 110.89 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -84.4 160.53 56.62 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.652 0.739 . . . . 63.12 110.871 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 -19.9 35.81 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.673 2.249 . . . . 72.14 112.378 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -75.37 -22.08 57.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 74.43 110.855 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.79 23.62 45.31 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.729 -0.748 . . . . 74.53 112.49 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.9 p -80.37 159.77 25.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.976 0.417 . . . . 63.1 110.865 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.6 m -96.5 107.12 19.48 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.141 -0.482 . . . . 73.11 111.156 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.9 mt -133.69 125.94 29.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 73.04 110.969 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.0 m -143.73 148.97 36.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 74.44 110.853 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.593 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -105.03 160.52 25.69 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.612 0.72 . . . . 71.41 111.103 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.593 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 53.5 Cg_endo -69.81 -15.14 36.75 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.669 2.246 . . . . 74.51 112.305 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 63.41 110.841 179.942 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 N-CA-C 112.397 -0.281 . . . . 61.15 112.397 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 55.6 mt -99.56 127.15 52.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.849 0.357 . . . . 73.31 111.161 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.2 m -109.49 159.2 17.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 75.24 110.803 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -136.67 167.46 21.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 70.53 110.93 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.0 mtpp -134.89 115.43 13.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 74.22 110.879 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.15 156.54 51.64 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.593 0.711 . . . . 53.44 110.938 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -16.11 37.41 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.716 2.277 . . . . 73.53 112.335 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -75.27 -22.08 58.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 74.12 110.881 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.48 -25.14 11.42 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.74 -0.743 . . . . 62.42 112.494 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.2 m -67.62 143.27 56.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.03 0.443 . . . . 75.44 110.797 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.7 t -99.51 132.67 44.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.118 -0.492 . . . . 71.31 111.142 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.6 tp -114.52 146.76 40.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 74.1 110.882 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 m -141.56 142.45 33.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 34.12 110.887 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.58 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -101.32 160.51 26.4 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.606 0.717 . . . . 64.55 111.103 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.58 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 53.9 Cg_endo -69.7 -13.55 34.98 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.713 2.276 . . . . 73.51 112.361 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.31 -0.404 . . . . 63.24 110.876 179.947 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.482 -0.247 . . . . 64.14 112.482 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 32.2 mm -77.22 132.6 32.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.891 0.377 . . . . 74.12 111.113 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.3 m -121.27 153.5 37.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 52.43 110.847 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -123.33 149.15 45.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 72.34 110.933 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.75 98.76 6.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 74.13 110.922 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -86.17 137.01 35.22 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.619 0.723 . . . . 71.01 110.821 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -10.08 27.63 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.663 2.242 . . . . 74.32 112.363 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -75.23 -21.96 58.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 73.44 110.919 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.37 -32.48 5.71 Favored Glycine 0 N--CA 1.453 -0.185 0 C-N-CA 120.733 -0.746 . . . . 70.42 112.437 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.8 m -68.71 124.76 24.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.974 0.416 . . . . 64.51 110.871 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.3 m -89.58 126.59 35.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.106 -0.497 . . . . 65.35 111.119 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 80.4 mt -117.88 139.26 51.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 71.21 110.994 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.4 m -142.64 144.21 32.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 61.04 110.891 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.593 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -99.17 160.45 27.58 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.54 0.686 . . . . 73.52 111.183 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.593 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 52.9 Cg_endo -69.84 -16.58 37.29 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.692 2.261 . . . . 31.11 112.281 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.8 t0 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 75.01 110.876 179.913 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.515 -0.234 . . . . 34.4 112.515 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 70.6 mt -71.7 114.84 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.858 0.361 . . . . 55.0 111.087 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.5 m -105.49 128.33 53.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 73.34 110.862 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -144.19 124.43 13.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 64.22 110.915 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.57 153.71 40.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 75.41 110.948 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -85.71 160.59 52.83 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.562 0.696 . . . . 75.04 110.879 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -15.2 36.94 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.682 2.254 . . . . 53.12 112.358 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -88.76 -22.1 23.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 64.41 110.886 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.96 16.03 10.22 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.777 -0.725 . . . . 62.1 112.427 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.2 m -90.7 151.82 21.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.895 0.378 . . . . 60.01 110.849 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.5 m -96.29 111.47 23.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 64.11 111.123 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 mp -134.96 144.1 47.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 44.04 110.865 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.3 m -131.5 165.31 23.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 62.1 110.884 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.578 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -103.29 160.47 26.06 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.618 0.723 . . . . 75.12 111.112 179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.578 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 53.9 Cg_endo -69.85 -18.25 36.7 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.721 2.28 . . . . 73.33 112.336 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 41.25 110.848 179.91 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.457 -0.257 . . . . 72.42 112.457 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 74.2 mt -69.75 116.61 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.351 . . . . 72.32 111.105 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -118.32 141.74 48.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 75.23 110.921 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -153.84 132.68 12.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 65.41 110.849 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.9 mtmm -102.91 131.41 49.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 54.14 110.891 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -85.45 160.61 53.56 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.607 0.718 . . . . 54.1 110.833 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -14.24 35.64 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.682 2.254 . . . . 72.0 112.363 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -75.91 -22.0 56.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 73.24 110.901 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.48 -33.64 5.16 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.7 -0.762 . . . . 73.21 112.498 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.26 130.94 44.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.937 0.399 . . . . 75.13 110.843 -179.721 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.7 t -97.73 131.7 44.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.481 . . . . 64.11 111.164 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.1 mp -125.14 117.4 23.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 71.4 110.962 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.6 m -114.01 141.21 47.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 64.33 110.838 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.587 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -91.36 160.43 37.06 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.588 0.709 . . . . 73.44 111.113 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.587 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 54.3 Cg_endo -69.7 -18.66 37.18 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.731 2.287 . . . . 63.5 112.348 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.2 t70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 74.25 110.911 179.951 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.431 -0.268 . . . . 71.32 112.431 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 66.9 mt -81.91 127.51 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.932 0.396 . . . . 65.32 111.117 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.9 m -115.08 137.22 52.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 55.51 110.88 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -135.94 137.62 41.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 75.21 110.874 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -93.99 132.77 38.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 61.43 110.889 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.41 160.48 53.95 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.638 0.732 . . . . 72.01 110.837 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -17.1 37.97 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.65 2.233 . . . . 74.03 112.408 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -75.68 -22.13 56.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 75.14 110.838 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 111.74 -30.38 7.84 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.755 -0.736 . . . . 21.31 112.46 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.7 p -59.91 147.72 37.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.93 0.395 . . . . 72.23 110.915 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 82.3 m -93.09 121.7 34.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.129 -0.487 . . . . 74.11 111.169 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mp -120.78 142.24 49.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 74.52 110.953 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 57.0 m -139.47 151.99 46.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 73.34 110.928 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.584 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -104.26 160.46 25.98 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.556 0.693 . . . . 30.05 111.097 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.584 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 53.8 Cg_endo -69.72 -15.05 37.04 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.656 2.237 . . . . 61.31 112.349 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 74.33 110.865 179.954 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.541 -0.224 . . . . 64.42 112.541 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 58.7 mt -65.34 139.87 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 72.21 111.135 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.1 m -140.63 122.86 15.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 71.33 110.873 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -141.22 159.12 42.89 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.167 -0.469 . . . . 73.1 110.859 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.3 ptpp? -115.66 137.71 51.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 72.14 110.876 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -80.04 160.61 68.2 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.64 0.733 . . . . 71.5 110.862 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.76 -17.12 37.73 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.665 2.244 . . . . 71.22 112.319 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -79.69 -22.06 43.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 63.11 110.878 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.53 17.85 10.17 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.704 -0.76 . . . . 72.15 112.496 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.5 p -98.92 138.01 36.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.917 0.389 . . . . 72.33 110.876 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -94.77 122.66 37.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 74.24 111.112 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.3 mt -136.94 141.23 42.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 54.33 110.864 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 45.2 m -139.97 144.0 36.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 74.42 110.898 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.568 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -86.24 160.42 51.65 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.607 0.718 . . . . 74.32 111.119 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.568 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 54.0 Cg_endo -69.78 -20.0 35.32 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.703 2.268 . . . . 73.1 112.3 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 72.52 110.83 179.931 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.481 -0.248 . . . . 73.41 112.481 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 69.6 mt -99.19 110.39 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.819 0.342 . . . . 70.22 111.114 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.6 m -111.16 123.21 49.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 74.52 110.917 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 30.5 p90 -145.87 133.38 20.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 63.32 110.837 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -90.02 139.96 30.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 73.44 110.867 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -88.96 160.55 43.25 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.586 0.707 . . . . 60.03 110.922 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.64 -16.62 38.14 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.694 2.263 . . . . 75.21 112.402 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -76.25 -22.04 55.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 72.51 110.859 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.11 -22.06 12.69 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.666 -0.778 . . . . 71.21 112.45 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.8 m -77.49 150.07 34.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.907 0.384 . . . . 75.22 110.923 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.4 t -102.72 133.56 47.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 62.04 111.167 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -128.92 114.28 16.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 72.44 110.871 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 m -113.47 144.72 42.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 75.42 110.906 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.591 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -98.98 160.5 27.57 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.579 0.704 . . . . 51.32 111.045 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.591 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 54.3 Cg_endo -69.76 -20.52 34.74 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.602 2.201 . . . . 62.43 112.359 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 62.41 110.884 179.922 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 N-CA-C 112.509 -0.236 . . . . 74.23 112.509 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 51.9 mm -99.4 111.89 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.88 0.371 . . . . 44.32 111.163 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -102.29 131.91 48.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 64.32 110.912 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -144.93 140.09 28.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 74.01 110.896 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -88.48 124.27 33.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 71.0 110.8 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -72.95 160.65 82.39 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.645 0.736 . . . . 62.5 110.872 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -14.95 36.89 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.639 2.226 . . . . 72.4 112.406 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -83.95 -22.25 31.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 74.21 110.896 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.44 -21.13 26.81 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.772 -0.728 . . . . 61.44 112.435 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.57 159.78 10.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.013 0.435 . . . . 53.11 110.82 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.2 m -103.31 112.63 25.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.053 -0.521 . . . . 70.41 111.111 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.1 mt -129.95 145.82 51.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 75.53 110.932 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.1 m -135.01 165.24 25.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 43.23 110.903 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.56 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -104.45 160.2 26.82 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.548 0.69 . . . . 55.23 111.122 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.56 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 54.6 Cg_endo -69.66 -19.96 35.91 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.698 2.266 . . . . 71.44 112.377 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.199 -0.455 . . . . 61.43 110.89 179.907 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.248 0 N-CA-C 112.481 -0.248 . . . . 74.32 112.481 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 43.7 mm -84.88 142.23 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.882 0.373 . . . . 63.15 111.165 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.9 m -119.59 133.77 55.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 60.14 110.93 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.4 p90 -120.49 133.33 55.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 74.41 110.889 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.8 ttpt -103.7 136.32 43.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 74.13 110.941 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -88.69 160.6 43.98 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.583 0.706 . . . . 63.22 110.872 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 -23.45 30.96 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.689 2.259 . . . . 65.04 112.379 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -75.41 -22.02 57.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 74.02 110.863 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.67 16.76 11.26 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.818 -0.706 . . . . 74.14 112.496 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.0 m -87.2 130.49 34.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.911 0.386 . . . . 70.01 110.861 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.7 m -96.46 113.15 24.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 60.14 111.166 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 66.8 mt -132.49 140.76 48.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 53.44 110.882 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 57.7 m -120.25 148.82 43.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 65.54 110.901 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.568 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -93.45 160.38 33.2 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-O 121.541 0.686 . . . . 74.5 111.135 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.568 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 54.2 Cg_endo -69.72 -17.39 37.77 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.716 2.277 . . . . 62.11 112.368 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.8 t70 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 71.0 110.834 179.933 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.511 -0.236 . . . . 71.34 112.511 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 44.9 mm -99.46 117.94 45.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.9 0.381 . . . . 71.14 111.111 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -114.85 128.64 56.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 71.35 110.869 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.8 p90 -145.41 145.81 31.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 73.4 110.875 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.8 mtmm -93.75 123.46 37.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 63.12 110.886 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.98 160.63 77.36 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.552 0.691 . . . . 74.52 110.893 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.74 -20.02 35.46 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.648 2.232 . . . . 63.2 112.335 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -76.72 -22.17 54.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 71.22 110.873 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.13 -19.89 19.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.74 . . . . 70.5 112.532 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.6 m -70.48 152.05 44.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.954 0.407 . . . . 54.31 110.847 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.8 m -97.06 129.52 44.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 71.11 111.176 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.2 tp -134.21 144.36 48.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 75.51 110.914 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.9 m -134.84 155.7 50.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 71.11 110.846 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.573 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -103.23 160.38 26.36 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.513 0.673 . . . . 72.11 111.149 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.573 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 53.0 Cg_endo -69.77 -20.23 35.04 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.721 2.281 . . . . 72.11 112.31 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 73.2 110.826 179.961 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.505 -0.238 . . . . 55.42 112.505 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 55.7 mt -76.39 143.05 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.808 0.337 . . . . 75.21 111.114 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -134.08 159.87 39.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 62.34 110.886 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -139.07 165.26 27.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 73.14 110.886 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 35.9 mtmt -134.13 103.98 6.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 71.44 110.868 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -83.88 160.55 57.96 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.608 0.718 . . . . 74.44 110.814 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -15.43 37.26 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.703 2.269 . . . . 73.15 112.317 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -77.78 -22.09 50.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 74.54 110.849 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.41 -29.71 9.71 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.682 -0.77 . . . . 74.55 112.521 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.6 m -57.86 126.65 28.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.89 0.376 . . . . 60.44 110.872 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -84.07 111.64 19.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 71.21 111.117 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.0 tp -96.25 109.15 21.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.177 -0.465 . . . . 72.03 110.881 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.0 m -117.63 140.01 50.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 53.15 110.89 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.565 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -99.68 160.49 27.22 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.655 0.74 . . . . 71.31 111.06 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.565 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 53.4 Cg_endo -69.85 -12.1 32.05 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.627 2.218 . . . . 65.54 112.328 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 72.21 110.874 179.89 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.499 -0.24 . . . . 61.13 112.499 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 30.8 mt -99.57 115.73 41.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.838 0.351 . . . . 74.12 111.155 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -105.7 140.82 38.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 65.13 110.84 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -115.69 162.78 16.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 72.51 110.837 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -135.81 99.58 4.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.069 -0.514 . . . . 63.1 110.908 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -73.63 160.43 82.2 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.616 0.722 . . . . 61.21 110.888 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -28.29 25.49 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.742 2.295 . . . . 71.34 112.369 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -75.42 -22.15 57.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 73.11 110.871 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.5 -16.1 19.53 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.715 -0.755 . . . . 75.02 112.477 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.6 m -57.13 128.47 37.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.93 0.395 . . . . 55.21 110.828 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.2 m -95.87 120.08 35.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 72.11 111.162 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 tt -120.67 115.53 23.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 62.21 110.865 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.9 m -112.06 147.95 34.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 73.44 110.938 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.579 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -101.93 160.49 26.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.576 0.703 . . . . 72.51 111.103 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.579 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 54.3 Cg_endo -69.75 -12.44 32.93 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.639 2.226 . . . . 74.31 112.407 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 55.55 110.822 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.494 -0.243 . . . . 51.55 112.494 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 58.4 mt -99.55 117.04 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.885 0.374 . . . . 60.42 111.093 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.0 m -96.88 121.23 38.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 42.13 110.849 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -115.51 153.47 31.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 73.14 110.834 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.0 ptpp? -110.92 95.86 5.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.087 -0.506 . . . . 74.24 110.879 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -56.48 157.95 8.84 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.665 0.745 . . . . 73.51 110.868 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -13.92 35.37 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.727 2.284 . . . . 53.44 112.326 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -76.03 -22.16 56.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 62.34 110.888 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.68 20.58 36.79 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.793 -0.718 . . . . 61.12 112.479 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.8 m -98.84 151.95 20.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.901 0.381 . . . . 65.03 110.871 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.1 m -90.65 112.74 24.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 74.04 111.129 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mt -137.32 146.49 44.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 73.24 110.911 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 23.2 m -138.69 154.84 48.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 74.22 110.877 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.576 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -97.72 160.53 28.37 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.56 0.695 . . . . 70.41 111.081 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.576 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 53.4 Cg_endo -69.81 -30.58 21.82 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.619 2.212 . . . . 75.55 112.333 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 54.4 110.924 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.55 -0.22 . . . . 74.35 112.55 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 50.1 mm -99.56 123.42 52.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.874 0.368 . . . . 71.34 111.142 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.9 m -122.1 126.82 49.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 61.14 110.896 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -142.83 144.5 32.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 73.41 110.807 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.7 mtpp -86.32 106.62 17.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 62.5 110.883 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.77 160.54 19.25 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.525 0.679 . . . . 72.14 110.903 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -16.34 37.25 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.665 2.244 . . . . 54.43 112.347 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -75.33 -22.04 57.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 73.43 110.947 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.02 -35.75 4.76 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.778 -0.725 . . . . 23.22 112.463 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.5 t -60.46 161.46 7.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.936 0.398 . . . . 72.15 110.848 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.408 ' C ' HD22 ' A' ' 12' ' ' LEU . 27.7 m -98.71 117.55 33.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 75.41 111.138 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.408 HD22 ' C ' ' A' ' 11' ' ' THR . 4.5 mm? -121.74 139.03 54.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 74.31 110.922 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.2 m -131.03 155.9 46.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 44.24 110.855 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.581 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -105.33 160.38 26.22 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.541 0.686 . . . . 74.41 111.078 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.581 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 53.7 Cg_endo -69.73 -23.63 30.72 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.688 2.258 . . . . 71.03 112.332 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 73.31 110.862 179.935 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.434 0 N-CA-C 112.518 -0.233 . . . . 74.41 112.518 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 44.8 mt -74.32 117.28 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.858 0.361 . . . . 71.44 111.153 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.0 m -101.82 130.04 48.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 61.05 110.912 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.46 ' HE1' ' HB2' ' A' ' 14' ' ' ALA . 28.1 p90 -132.6 156.36 47.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 62.2 110.863 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.3 mtmt -101.49 132.35 47.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 75.44 110.878 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -88.76 160.58 43.79 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 121.627 0.727 . . . . 64.23 110.813 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -18.12 37.31 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.666 2.244 . . . . 74.41 112.369 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -78.58 -22.14 47.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 72.21 110.89 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.58 -21.08 37.76 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.695 -0.764 . . . . 74.41 112.482 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.4 p -65.13 155.31 35.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.98 0.419 . . . . 65.04 110.826 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.5 m -92.6 112.29 24.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.063 -0.517 . . . . 72.4 111.158 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 tt -129.48 120.73 25.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 73.44 110.92 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 54.6 m -113.43 150.74 32.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 72.23 110.941 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.576 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -80.56 160.43 67.22 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.576 0.703 . . . . 51.45 111.109 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.576 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 53.9 Cg_endo -69.75 -21.53 33.4 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.742 2.295 . . . . 62.43 112.361 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 72.43 110.898 179.879 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.49 -0.244 . . . . 74.32 112.49 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.678 HG13 ' HB3' ' A' ' 14' ' ' ALA . 17.2 pt -74.06 148.36 8.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.905 0.383 . . . . 70.11 111.068 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -128.33 136.47 51.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 74.53 110.896 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -147.99 133.31 18.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 74.02 110.872 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.5 ptmt -88.62 129.53 35.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 74.33 110.882 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -70.41 160.53 80.94 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.651 0.738 . . . . 63.33 110.786 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -18.2 37.1 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.643 2.229 . . . . 71.33 112.299 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -75.41 -21.87 57.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 74.41 110.897 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.75 -19.9 15.6 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.753 -0.737 . . . . 71.21 112.505 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.5 p -72.99 148.23 44.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.941 0.401 . . . . 73.51 110.929 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.2 t -91.26 130.49 37.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 62.11 111.155 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.5 tp -132.94 147.43 52.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 65.14 110.928 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 36.2 m -139.23 146.11 40.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 72.02 110.889 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.678 ' HB3' HG13 ' A' ' 2' ' ' ILE . . . -91.14 161.11 36.01 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.597 0.713 . . . . 73.44 111.161 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.598 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 53.2 Cg_endo -69.78 -24.86 29.11 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.678 2.252 . . . . 74.2 112.312 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 70.35 110.878 179.96 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.45 -0.26 . . . . 23.04 112.45 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 68.5 mt -80.01 138.27 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.89 0.376 . . . . 74.34 111.181 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.0 m -121.72 160.61 24.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 73.3 110.893 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -131.26 137.97 49.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 74.54 110.86 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -122.32 108.8 13.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 74.4 110.924 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -88.91 160.53 43.45 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.616 0.722 . . . . 73.34 110.869 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -18.71 36.92 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.638 2.225 . . . . 74.31 112.403 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -75.39 -22.02 57.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 63.43 110.85 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.42 -14.87 39.16 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.777 -0.725 . . . . 42.44 112.533 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.5 p -57.0 133.35 54.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.941 0.4 . . . . 55.55 110.891 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.7 m -94.48 116.21 28.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.072 -0.513 . . . . 73.32 111.077 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -118.81 135.04 54.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 73.35 110.871 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 m -141.47 144.24 34.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 50.22 110.959 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.577 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -104.29 160.48 25.9 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.604 0.716 . . . . 75.12 111.075 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.577 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 53.9 Cg_endo -69.73 -15.9 37.4 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.662 2.242 . . . . 74.42 112.357 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.471 . . . . 53.52 110.89 179.949 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.541 -0.224 . . . . 64.01 112.541 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 46.3 mm -99.5 130.86 47.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.836 0.35 . . . . 74.32 111.127 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.6 m -131.69 121.11 23.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 64.1 110.866 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -136.64 150.37 48.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 74.44 110.907 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.9 mtmt -98.07 113.12 24.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 64.2 110.94 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.05 160.66 5.89 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.619 0.723 . . . . 41.42 110.843 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.82 -17.19 37.43 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.688 2.259 . . . . 75.24 112.306 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -78.13 -21.94 49.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 74.31 110.928 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.62 -24.39 10.37 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.735 -0.745 . . . . 33.01 112.496 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.3 t -69.2 157.63 36.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.97 0.415 . . . . 52.03 110.826 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.1 t -103.78 137.2 42.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.106 -0.497 . . . . 53.53 111.18 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.8 mt -136.2 138.33 41.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 75.15 110.86 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.7 m -127.76 148.53 50.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 65.22 110.832 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.584 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -104.24 160.35 26.33 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.615 0.721 . . . . 71.41 111.093 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.584 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 53.8 Cg_endo -69.8 -17.13 37.56 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.642 2.228 . . . . 74.4 112.391 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.9 t0 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 63.3 110.898 179.904 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.49 -0.244 . . . . 54.35 112.49 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 48.3 mt -65.4 115.39 3.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.889 0.376 . . . . 74.4 111.145 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.6 m -128.34 139.11 52.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 74.3 110.831 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -146.47 138.31 24.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 74.13 110.822 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.0 ttpp -84.85 122.86 29.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 72.32 110.892 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -88.92 156.59 49.44 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.676 0.75 . . . . 75.3 110.862 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -14.79 36.44 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.657 2.238 . . . . 71.33 112.315 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -75.29 -22.1 57.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 53.21 110.882 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.68 -23.44 35.71 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.705 -0.76 . . . . 74.25 112.504 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.9 m -64.83 152.59 42.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.947 0.403 . . . . 65.5 110.809 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.0 m -93.58 120.49 33.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 71.42 111.196 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 tt -127.49 130.17 48.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 65.31 110.896 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.4 m -139.64 152.43 46.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 64.32 110.895 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.578 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -97.01 160.38 29.23 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.558 0.694 . . . . 32.45 111.133 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.578 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 52.8 Cg_endo -69.78 -17.43 37.49 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.67 2.247 . . . . 74.33 112.355 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 63.3 110.896 179.899 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.462 -0.255 . . . . 63.23 112.462 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 44.5 mm -99.65 110.21 26.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.941 0.401 . . . . 74.34 111.091 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -103.85 141.14 36.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 74.21 110.895 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -114.22 137.13 52.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 60.41 110.942 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -113.85 97.3 6.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 70.25 110.89 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -84.4 160.53 56.62 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.652 0.739 . . . . 63.12 110.871 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 -19.9 35.81 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.673 2.249 . . . . 72.14 112.378 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -75.37 -22.08 57.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 74.43 110.855 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.79 23.62 45.31 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.729 -0.748 . . . . 74.53 112.49 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.9 p -80.37 159.77 25.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.976 0.417 . . . . 63.1 110.865 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.6 m -96.5 107.12 19.48 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.141 -0.482 . . . . 73.11 111.156 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.9 mt -133.69 125.94 29.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 73.04 110.969 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.0 m -143.73 148.97 36.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 74.44 110.853 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.593 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -105.03 160.52 25.69 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.612 0.72 . . . . 71.41 111.103 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.593 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 53.5 Cg_endo -69.81 -15.14 36.75 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.669 2.246 . . . . 74.51 112.305 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 63.41 110.841 179.942 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 N-CA-C 112.397 -0.281 . . . . 61.15 112.397 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 55.6 mt -99.56 127.15 52.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.849 0.357 . . . . 73.31 111.161 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.2 m -109.49 159.2 17.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 75.24 110.803 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -136.67 167.46 21.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 70.53 110.93 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.0 mtpp -134.89 115.43 13.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 74.22 110.879 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.15 156.54 51.64 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.593 0.711 . . . . 53.44 110.938 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -16.11 37.41 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.716 2.277 . . . . 73.53 112.335 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -75.27 -22.08 58.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 74.12 110.881 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.48 -25.14 11.42 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.74 -0.743 . . . . 62.42 112.494 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.2 m -67.62 143.27 56.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.03 0.443 . . . . 75.44 110.797 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.7 t -99.51 132.67 44.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.118 -0.492 . . . . 71.31 111.142 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.6 tp -114.52 146.76 40.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 74.1 110.882 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 m -141.56 142.45 33.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 34.12 110.887 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.58 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -101.32 160.51 26.4 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.606 0.717 . . . . 64.55 111.103 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.58 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 53.9 Cg_endo -69.7 -13.55 34.98 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.713 2.276 . . . . 73.51 112.361 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.31 -0.404 . . . . 63.24 110.876 179.947 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.482 -0.247 . . . . 64.14 112.482 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 32.2 mm -77.22 132.6 32.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.891 0.377 . . . . 74.12 111.113 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.3 m -121.27 153.5 37.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 52.43 110.847 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -123.33 149.15 45.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 72.34 110.933 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.75 98.76 6.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 74.13 110.922 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -86.17 137.01 35.22 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.619 0.723 . . . . 71.01 110.821 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -10.08 27.63 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.663 2.242 . . . . 74.32 112.363 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -75.23 -21.96 58.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 73.44 110.919 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.37 -32.48 5.71 Favored Glycine 0 N--CA 1.453 -0.185 0 C-N-CA 120.733 -0.746 . . . . 70.42 112.437 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.8 m -68.71 124.76 24.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.974 0.416 . . . . 64.51 110.871 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.3 m -89.58 126.59 35.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.106 -0.497 . . . . 65.35 111.119 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 80.4 mt -117.88 139.26 51.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 71.21 110.994 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.4 m -142.64 144.21 32.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 61.04 110.891 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.593 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -99.17 160.45 27.58 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.54 0.686 . . . . 73.52 111.183 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.593 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 52.9 Cg_endo -69.84 -16.58 37.29 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.692 2.261 . . . . 31.11 112.281 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.8 t0 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 75.01 110.876 179.913 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.515 -0.234 . . . . 34.4 112.515 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 70.6 mt -71.7 114.84 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.858 0.361 . . . . 55.0 111.087 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.5 m -105.49 128.33 53.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 73.34 110.862 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -144.19 124.43 13.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 64.22 110.915 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.57 153.71 40.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 75.41 110.948 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -85.71 160.59 52.83 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.562 0.696 . . . . 75.04 110.879 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -15.2 36.94 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.682 2.254 . . . . 53.12 112.358 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -88.76 -22.1 23.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 64.41 110.886 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.96 16.03 10.22 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.777 -0.725 . . . . 62.1 112.427 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.2 m -90.7 151.82 21.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.895 0.378 . . . . 60.01 110.849 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.5 m -96.29 111.47 23.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 64.11 111.123 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 mp -134.96 144.1 47.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 44.04 110.865 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.3 m -131.5 165.31 23.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 62.1 110.884 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.578 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -103.29 160.47 26.06 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.618 0.723 . . . . 75.12 111.112 179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.578 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 53.9 Cg_endo -69.85 -18.25 36.7 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.721 2.28 . . . . 73.33 112.336 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 41.25 110.848 179.91 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.457 -0.257 . . . . 72.42 112.457 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 74.2 mt -69.75 116.61 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.351 . . . . 72.32 111.105 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -118.32 141.74 48.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 75.23 110.921 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -153.84 132.68 12.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 65.41 110.849 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.9 mtmm -102.91 131.41 49.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 54.14 110.891 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -85.45 160.61 53.56 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.607 0.718 . . . . 54.1 110.833 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -14.24 35.64 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.682 2.254 . . . . 72.0 112.363 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -75.91 -22.0 56.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 73.24 110.901 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.48 -33.64 5.16 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.7 -0.762 . . . . 73.21 112.498 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.26 130.94 44.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.937 0.399 . . . . 75.13 110.843 -179.721 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.7 t -97.73 131.7 44.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.481 . . . . 64.11 111.164 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.1 mp -125.14 117.4 23.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 71.4 110.962 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.6 m -114.01 141.21 47.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 64.33 110.838 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.587 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -91.36 160.43 37.06 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.588 0.709 . . . . 73.44 111.113 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.587 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 54.3 Cg_endo -69.7 -18.66 37.18 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.731 2.287 . . . . 63.5 112.348 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.2 t70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 74.25 110.911 179.951 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.431 -0.268 . . . . 71.32 112.431 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 66.9 mt -81.91 127.51 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.932 0.396 . . . . 65.32 111.117 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.9 m -115.08 137.22 52.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 55.51 110.88 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -135.94 137.62 41.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 75.21 110.874 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -93.99 132.77 38.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 61.43 110.889 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.41 160.48 53.95 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.638 0.732 . . . . 72.01 110.837 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -17.1 37.97 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.65 2.233 . . . . 74.03 112.408 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -75.68 -22.13 56.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 75.14 110.838 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 111.74 -30.38 7.84 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.755 -0.736 . . . . 21.31 112.46 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.7 p -59.91 147.72 37.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.93 0.395 . . . . 72.23 110.915 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 82.3 m -93.09 121.7 34.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.129 -0.487 . . . . 74.11 111.169 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mp -120.78 142.24 49.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 74.52 110.953 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 57.0 m -139.47 151.99 46.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 73.34 110.928 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.584 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -104.26 160.46 25.98 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.556 0.693 . . . . 30.05 111.097 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.584 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 53.8 Cg_endo -69.72 -15.05 37.04 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.656 2.237 . . . . 61.31 112.349 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 74.33 110.865 179.954 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.541 -0.224 . . . . 64.42 112.541 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 58.7 mt -65.34 139.87 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 72.21 111.135 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.1 m -140.63 122.86 15.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 71.33 110.873 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -141.22 159.12 42.89 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.167 -0.469 . . . . 73.1 110.859 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.3 ptpp? -115.66 137.71 51.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 72.14 110.876 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -80.04 160.61 68.2 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.64 0.733 . . . . 71.5 110.862 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.76 -17.12 37.73 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.665 2.244 . . . . 71.22 112.319 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -79.69 -22.06 43.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 63.11 110.878 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.53 17.85 10.17 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.704 -0.76 . . . . 72.15 112.496 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.5 p -98.92 138.01 36.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.917 0.389 . . . . 72.33 110.876 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -94.77 122.66 37.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 74.24 111.112 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.3 mt -136.94 141.23 42.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 54.33 110.864 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 45.2 m -139.97 144.0 36.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 74.42 110.898 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.568 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -86.24 160.42 51.65 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.607 0.718 . . . . 74.32 111.119 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.568 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 54.0 Cg_endo -69.78 -20.0 35.32 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.703 2.268 . . . . 73.1 112.3 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 72.52 110.83 179.931 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.481 -0.248 . . . . 73.41 112.481 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 69.6 mt -99.19 110.39 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.819 0.342 . . . . 70.22 111.114 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.6 m -111.16 123.21 49.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 74.52 110.917 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 30.5 p90 -145.87 133.38 20.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 63.32 110.837 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -90.02 139.96 30.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 73.44 110.867 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -88.96 160.55 43.25 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.586 0.707 . . . . 60.03 110.922 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.64 -16.62 38.14 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.694 2.263 . . . . 75.21 112.402 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -76.25 -22.04 55.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 72.51 110.859 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.11 -22.06 12.69 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.666 -0.778 . . . . 71.21 112.45 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.8 m -77.49 150.07 34.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.907 0.384 . . . . 75.22 110.923 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.4 t -102.72 133.56 47.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 62.04 111.167 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -128.92 114.28 16.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 72.44 110.871 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 m -113.47 144.72 42.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 75.42 110.906 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.591 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -98.98 160.5 27.57 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.579 0.704 . . . . 51.32 111.045 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.591 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 54.3 Cg_endo -69.76 -20.52 34.74 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.602 2.201 . . . . 62.43 112.359 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 62.41 110.884 179.922 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 N-CA-C 112.509 -0.236 . . . . 74.23 112.509 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 51.9 mm -99.4 111.89 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.88 0.371 . . . . 44.32 111.163 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -102.29 131.91 48.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 64.32 110.912 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -144.93 140.09 28.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 74.01 110.896 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -88.48 124.27 33.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 71.0 110.8 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -72.95 160.65 82.39 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.645 0.736 . . . . 62.5 110.872 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -14.95 36.89 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.639 2.226 . . . . 72.4 112.406 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -83.95 -22.25 31.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 74.21 110.896 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.44 -21.13 26.81 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.772 -0.728 . . . . 61.44 112.435 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.57 159.78 10.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.013 0.435 . . . . 53.11 110.82 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.2 m -103.31 112.63 25.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.053 -0.521 . . . . 70.41 111.111 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.1 mt -129.95 145.82 51.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 75.53 110.932 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.1 m -135.01 165.24 25.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 43.23 110.903 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.56 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -104.45 160.2 26.82 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.548 0.69 . . . . 55.23 111.122 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.56 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 54.6 Cg_endo -69.66 -19.96 35.91 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.698 2.266 . . . . 71.44 112.377 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.199 -0.455 . . . . 61.43 110.89 179.907 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.248 0 N-CA-C 112.481 -0.248 . . . . 74.32 112.481 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 43.7 mm -84.88 142.23 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.882 0.373 . . . . 63.15 111.165 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.9 m -119.59 133.77 55.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 60.14 110.93 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 34.4 p90 -120.49 133.33 55.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 74.41 110.889 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.8 ttpt -103.7 136.32 43.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 74.13 110.941 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -88.69 160.6 43.98 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.583 0.706 . . . . 63.22 110.872 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 -23.45 30.96 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.689 2.259 . . . . 65.04 112.379 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -75.41 -22.02 57.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 74.02 110.863 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.67 16.76 11.26 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.818 -0.706 . . . . 74.14 112.496 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.0 m -87.2 130.49 34.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.911 0.386 . . . . 70.01 110.861 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.7 m -96.46 113.15 24.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 60.14 111.166 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 66.8 mt -132.49 140.76 48.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 53.44 110.882 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 57.7 m -120.25 148.82 43.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 65.54 110.901 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.568 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -93.45 160.38 33.2 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-O 121.541 0.686 . . . . 74.5 111.135 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.568 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 54.2 Cg_endo -69.72 -17.39 37.77 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.716 2.277 . . . . 62.11 112.368 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.8 t70 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 71.0 110.834 179.933 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.511 -0.236 . . . . 71.34 112.511 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 44.9 mm -99.46 117.94 45.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.9 0.381 . . . . 71.14 111.111 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -114.85 128.64 56.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 71.35 110.869 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.8 p90 -145.41 145.81 31.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 73.4 110.875 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.8 mtmm -93.75 123.46 37.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.137 -0.483 . . . . 63.12 110.886 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.98 160.63 77.36 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.552 0.691 . . . . 74.52 110.893 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.74 -20.02 35.46 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.648 2.232 . . . . 63.2 112.335 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -76.72 -22.17 54.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 71.22 110.873 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.13 -19.89 19.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.74 . . . . 70.5 112.532 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.6 m -70.48 152.05 44.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.954 0.407 . . . . 54.31 110.847 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.8 m -97.06 129.52 44.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 71.11 111.176 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.2 tp -134.21 144.36 48.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 75.51 110.914 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.9 m -134.84 155.7 50.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.135 -0.484 . . . . 71.11 110.846 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.573 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -103.23 160.38 26.36 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.513 0.673 . . . . 72.11 111.149 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.573 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 53.0 Cg_endo -69.77 -20.23 35.04 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.721 2.281 . . . . 72.11 112.31 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 73.2 110.826 179.961 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.505 -0.238 . . . . 55.42 112.505 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 55.7 mt -76.39 143.05 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.808 0.337 . . . . 75.21 111.114 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -134.08 159.87 39.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 62.34 110.886 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -139.07 165.26 27.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 73.14 110.886 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 35.9 mtmt -134.13 103.98 6.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 71.44 110.868 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -83.88 160.55 57.96 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.608 0.718 . . . . 74.44 110.814 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -15.43 37.26 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.703 2.269 . . . . 73.15 112.317 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -77.78 -22.09 50.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 74.54 110.849 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.41 -29.71 9.71 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.682 -0.77 . . . . 74.55 112.521 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.6 m -57.86 126.65 28.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.89 0.376 . . . . 60.44 110.872 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.3 m -84.07 111.64 19.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 71.21 111.117 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.0 tp -96.25 109.15 21.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.177 -0.465 . . . . 72.03 110.881 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.0 m -117.63 140.01 50.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 53.15 110.89 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.565 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -99.68 160.49 27.22 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.655 0.74 . . . . 71.31 111.06 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.565 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 53.4 Cg_endo -69.85 -12.1 32.05 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.627 2.218 . . . . 65.54 112.328 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 72.21 110.874 179.89 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.499 -0.24 . . . . 61.13 112.499 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 30.8 mt -99.57 115.73 41.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.838 0.351 . . . . 74.12 111.155 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -105.7 140.82 38.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 65.13 110.84 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -115.69 162.78 16.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 72.51 110.837 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -135.81 99.58 4.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.069 -0.514 . . . . 63.1 110.908 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -73.63 160.43 82.2 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.616 0.722 . . . . 61.21 110.888 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -28.29 25.49 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.742 2.295 . . . . 71.34 112.369 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -75.42 -22.15 57.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 73.11 110.871 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.5 -16.1 19.53 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.715 -0.755 . . . . 75.02 112.477 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.6 m -57.13 128.47 37.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.93 0.395 . . . . 55.21 110.828 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.2 m -95.87 120.08 35.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 72.11 111.162 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 tt -120.67 115.53 23.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 62.21 110.865 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.9 m -112.06 147.95 34.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 73.44 110.938 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.579 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -101.93 160.49 26.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.576 0.703 . . . . 72.51 111.103 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.579 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 54.3 Cg_endo -69.75 -12.44 32.93 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.639 2.226 . . . . 74.31 112.407 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 55.55 110.822 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.494 -0.243 . . . . 51.55 112.494 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 58.4 mt -99.55 117.04 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.885 0.374 . . . . 60.42 111.093 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.0 m -96.88 121.23 38.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 42.13 110.849 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -115.51 153.47 31.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 73.14 110.834 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.0 ptpp? -110.92 95.86 5.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.087 -0.506 . . . . 74.24 110.879 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -56.48 157.95 8.84 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.665 0.745 . . . . 73.51 110.868 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -13.92 35.37 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.727 2.284 . . . . 53.44 112.326 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -76.03 -22.16 56.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 62.34 110.888 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.68 20.58 36.79 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.793 -0.718 . . . . 61.12 112.479 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.8 m -98.84 151.95 20.26 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.901 0.381 . . . . 65.03 110.871 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.1 m -90.65 112.74 24.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 74.04 111.129 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.9 mt -137.32 146.49 44.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 73.24 110.911 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 23.2 m -138.69 154.84 48.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 74.22 110.877 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.576 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -97.72 160.53 28.37 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.56 0.695 . . . . 70.41 111.081 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.576 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 53.4 Cg_endo -69.81 -30.58 21.82 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.619 2.212 . . . . 75.55 112.333 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 54.4 110.924 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.55 -0.22 . . . . 74.35 112.55 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 50.1 mm -99.56 123.42 52.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.874 0.368 . . . . 71.34 111.142 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.9 m -122.1 126.82 49.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 61.14 110.896 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -142.83 144.5 32.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 73.41 110.807 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 14.7 mtpp -86.32 106.62 17.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 62.5 110.883 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.77 160.54 19.25 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.525 0.679 . . . . 72.14 110.903 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -16.34 37.25 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.665 2.244 . . . . 54.43 112.347 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -75.33 -22.04 57.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 73.43 110.947 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.02 -35.75 4.76 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.778 -0.725 . . . . 23.22 112.463 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.5 t -60.46 161.46 7.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.936 0.398 . . . . 72.15 110.848 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.408 ' C ' HD22 ' A' ' 12' ' ' LEU . 27.7 m -98.71 117.55 33.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 75.41 111.138 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.408 HD22 ' C ' ' A' ' 11' ' ' THR . 4.5 mm? -121.74 139.03 54.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 74.31 110.922 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 16.2 m -131.03 155.9 46.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 44.24 110.855 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.581 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -105.33 160.38 26.22 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.541 0.686 . . . . 74.41 111.078 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.581 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 53.7 Cg_endo -69.73 -23.63 30.72 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.688 2.258 . . . . 71.03 112.332 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 73.31 110.862 179.935 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.434 0 N-CA-C 112.518 -0.233 . . . . 74.41 112.518 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 44.8 mt -74.32 117.28 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.858 0.361 . . . . 71.44 111.153 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.0 m -101.82 130.04 48.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 61.05 110.912 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.46 ' HE1' ' HB2' ' A' ' 14' ' ' ALA . 28.1 p90 -132.6 156.36 47.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 62.2 110.863 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 37.3 mtmt -101.49 132.35 47.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 75.44 110.878 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -88.76 160.58 43.79 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-O 121.627 0.727 . . . . 64.23 110.813 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -18.12 37.31 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.666 2.244 . . . . 74.41 112.369 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -78.58 -22.14 47.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 72.21 110.89 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 104.58 -21.08 37.76 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.695 -0.764 . . . . 74.41 112.482 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.4 p -65.13 155.31 35.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.98 0.419 . . . . 65.04 110.826 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.5 m -92.6 112.29 24.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.063 -0.517 . . . . 72.4 111.158 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 tt -129.48 120.73 25.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.45 . . . . 73.44 110.92 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 54.6 m -113.43 150.74 32.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 72.23 110.941 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.576 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -80.56 160.43 67.22 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.576 0.703 . . . . 51.45 111.109 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.576 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 53.9 Cg_endo -69.75 -21.53 33.4 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.742 2.295 . . . . 62.43 112.361 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 72.43 110.898 179.879 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.49 -0.244 . . . . 74.32 112.49 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.678 HG13 ' HB3' ' A' ' 14' ' ' ALA . 17.2 pt -74.06 148.36 8.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.905 0.383 . . . . 70.11 111.068 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -128.33 136.47 51.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 74.53 110.896 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -147.99 133.31 18.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 74.02 110.872 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.5 ptmt -88.62 129.53 35.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 74.33 110.882 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -70.41 160.53 80.94 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.651 0.738 . . . . 63.33 110.786 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -18.2 37.1 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.643 2.229 . . . . 71.33 112.299 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -75.41 -21.87 57.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 74.41 110.897 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.75 -19.9 15.6 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.753 -0.737 . . . . 71.21 112.505 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.5 p -72.99 148.23 44.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.941 0.401 . . . . 73.51 110.929 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.2 t -91.26 130.49 37.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 62.11 111.155 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.5 tp -132.94 147.43 52.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 65.14 110.928 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 36.2 m -139.23 146.11 40.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 72.02 110.889 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.678 ' HB3' HG13 ' A' ' 2' ' ' ILE . . . -91.14 161.11 36.01 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.597 0.713 . . . . 73.44 111.161 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.598 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 53.2 Cg_endo -69.78 -24.86 29.11 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.678 2.252 . . . . 74.2 112.312 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.439 . . . . 70.35 110.878 179.96 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.45 -0.26 . . . . 23.04 112.45 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 68.5 mt -80.01 138.27 20.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.89 0.376 . . . . 74.34 111.181 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.0 m -121.72 160.61 24.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 73.3 110.893 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -131.26 137.97 49.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 74.54 110.86 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 48.8 mtpt -122.32 108.8 13.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 74.4 110.924 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -88.91 160.53 43.45 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.616 0.722 . . . . 73.34 110.869 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -18.71 36.92 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.638 2.225 . . . . 74.31 112.403 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -75.39 -22.02 57.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 63.43 110.85 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.42 -14.87 39.16 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.777 -0.725 . . . . 42.44 112.533 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.5 p -57.0 133.35 54.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.941 0.4 . . . . 55.55 110.891 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.7 m -94.48 116.21 28.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.072 -0.513 . . . . 73.32 111.077 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -118.81 135.04 54.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 73.35 110.871 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 m -141.47 144.24 34.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 50.22 110.959 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.577 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -104.29 160.48 25.9 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.604 0.716 . . . . 75.12 111.075 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.577 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 53.9 Cg_endo -69.73 -15.9 37.4 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.662 2.242 . . . . 74.42 112.357 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.471 . . . . 53.52 110.89 179.949 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.541 -0.224 . . . . 64.01 112.541 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 46.3 mm -99.5 130.86 47.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.836 0.35 . . . . 74.32 111.127 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.6 m -131.69 121.11 23.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 64.1 110.866 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -136.64 150.37 48.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 74.44 110.907 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.9 mtmt -98.07 113.12 24.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 64.2 110.94 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.05 160.66 5.89 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.619 0.723 . . . . 41.42 110.843 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.82 -17.19 37.43 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.688 2.259 . . . . 75.24 112.306 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -78.13 -21.94 49.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 74.31 110.928 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.62 -24.39 10.37 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.735 -0.745 . . . . 33.01 112.496 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.3 t -69.2 157.63 36.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.97 0.415 . . . . 52.03 110.826 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.1 t -103.78 137.2 42.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.106 -0.497 . . . . 53.53 111.18 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.8 mt -136.2 138.33 41.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 75.15 110.86 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.7 m -127.76 148.53 50.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 65.22 110.832 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.584 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -104.24 160.35 26.33 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.615 0.721 . . . . 71.41 111.093 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.584 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 53.8 Cg_endo -69.8 -17.13 37.56 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.642 2.228 . . . . 74.4 112.391 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.9 t0 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 63.3 110.898 179.904 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.49 -0.244 . . . . 54.35 112.49 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 48.3 mt -65.4 115.39 3.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.889 0.376 . . . . 74.4 111.145 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.6 m -128.34 139.11 52.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 74.3 110.831 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -146.47 138.31 24.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 74.13 110.822 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.0 ttpp -84.85 122.86 29.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 72.32 110.892 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -88.92 156.59 49.44 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.676 0.75 . . . . 75.3 110.862 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -14.79 36.44 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.657 2.238 . . . . 71.33 112.315 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -75.29 -22.1 57.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 53.21 110.882 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.68 -23.44 35.71 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.705 -0.76 . . . . 74.25 112.504 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.9 m -64.83 152.59 42.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.947 0.403 . . . . 65.5 110.809 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.0 m -93.58 120.49 33.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 71.42 111.196 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 tt -127.49 130.17 48.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 65.31 110.896 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.4 m -139.64 152.43 46.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 64.32 110.895 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.578 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -97.01 160.38 29.23 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.558 0.694 . . . . 32.45 111.133 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.578 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 52.8 Cg_endo -69.78 -17.43 37.49 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.67 2.247 . . . . 74.33 112.355 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 63.3 110.896 179.899 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.462 -0.255 . . . . 63.23 112.462 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 44.5 mm -99.65 110.21 26.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.941 0.401 . . . . 74.34 111.091 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -103.85 141.14 36.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 74.21 110.895 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -114.22 137.13 52.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 60.41 110.942 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -113.85 97.3 6.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 70.25 110.89 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -84.4 160.53 56.62 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.652 0.739 . . . . 63.12 110.871 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 -19.9 35.81 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.673 2.249 . . . . 72.14 112.378 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -75.37 -22.08 57.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 74.43 110.855 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.79 23.62 45.31 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.729 -0.748 . . . . 74.53 112.49 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.9 p -80.37 159.77 25.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.976 0.417 . . . . 63.1 110.865 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.6 m -96.5 107.12 19.48 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.141 -0.482 . . . . 73.11 111.156 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 19.9 mt -133.69 125.94 29.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 73.04 110.969 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.0 m -143.73 148.97 36.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 74.44 110.853 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.593 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -105.03 160.52 25.69 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.612 0.72 . . . . 71.41 111.103 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.593 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 53.5 Cg_endo -69.81 -15.14 36.75 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.669 2.246 . . . . 74.51 112.305 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 63.41 110.841 179.942 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.259 0 N-CA-C 112.397 -0.281 . . . . 61.15 112.397 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 55.6 mt -99.56 127.15 52.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.849 0.357 . . . . 73.31 111.161 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.2 m -109.49 159.2 17.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.462 . . . . 75.24 110.803 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -136.67 167.46 21.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 70.53 110.93 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 18.0 mtpp -134.89 115.43 13.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 74.22 110.879 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.15 156.54 51.64 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.593 0.711 . . . . 53.44 110.938 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -16.11 37.41 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.716 2.277 . . . . 73.53 112.335 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -75.27 -22.08 58.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 74.12 110.881 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.48 -25.14 11.42 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.74 -0.743 . . . . 62.42 112.494 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.2 m -67.62 143.27 56.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.03 0.443 . . . . 75.44 110.797 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.7 t -99.51 132.67 44.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.118 -0.492 . . . . 71.31 111.142 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.6 tp -114.52 146.76 40.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 74.1 110.882 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 m -141.56 142.45 33.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 34.12 110.887 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.58 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -101.32 160.51 26.4 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.606 0.717 . . . . 64.55 111.103 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.58 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 53.9 Cg_endo -69.7 -13.55 34.98 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.713 2.276 . . . . 73.51 112.361 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.31 -0.404 . . . . 63.24 110.876 179.947 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.482 -0.247 . . . . 64.14 112.482 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 32.2 mm -77.22 132.6 32.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.891 0.377 . . . . 74.12 111.113 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.3 m -121.27 153.5 37.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 52.43 110.847 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -123.33 149.15 45.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 72.34 110.933 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.75 98.76 6.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 74.13 110.922 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -86.17 137.01 35.22 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.619 0.723 . . . . 71.01 110.821 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -10.08 27.63 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.663 2.242 . . . . 74.32 112.363 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -75.23 -21.96 58.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 73.44 110.919 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.37 -32.48 5.71 Favored Glycine 0 N--CA 1.453 -0.185 0 C-N-CA 120.733 -0.746 . . . . 70.42 112.437 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.8 m -68.71 124.76 24.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.974 0.416 . . . . 64.51 110.871 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.3 m -89.58 126.59 35.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.106 -0.497 . . . . 65.35 111.119 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 80.4 mt -117.88 139.26 51.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 71.21 110.994 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 10.4 m -142.64 144.21 32.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 61.04 110.891 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.593 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -99.17 160.45 27.58 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.54 0.686 . . . . 73.52 111.183 179.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.593 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 52.9 Cg_endo -69.84 -16.58 37.29 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.692 2.261 . . . . 31.11 112.281 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 24.8 t0 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 75.01 110.876 179.913 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.515 -0.234 . . . . 34.4 112.515 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 70.6 mt -71.7 114.84 10.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.858 0.361 . . . . 55.0 111.087 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.5 m -105.49 128.33 53.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 73.34 110.862 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 36.2 p90 -144.19 124.43 13.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 64.22 110.915 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.57 153.71 40.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 75.41 110.948 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -85.71 160.59 52.83 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.562 0.696 . . . . 75.04 110.879 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -15.2 36.94 Favored 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.682 2.254 . . . . 53.12 112.358 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -88.76 -22.1 23.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 64.41 110.886 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.96 16.03 10.22 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.777 -0.725 . . . . 62.1 112.427 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 73.2 m -90.7 151.82 21.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.895 0.378 . . . . 60.01 110.849 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.5 m -96.29 111.47 23.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 64.11 111.123 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 mp -134.96 144.1 47.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 44.04 110.865 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.3 m -131.5 165.31 23.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 62.1 110.884 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.578 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -103.29 160.47 26.06 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.618 0.723 . . . . 75.12 111.112 179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.578 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 53.9 Cg_endo -69.85 -18.25 36.7 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.721 2.28 . . . . 73.33 112.336 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 41.25 110.848 179.91 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.457 -0.257 . . . . 72.42 112.457 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 74.2 mt -69.75 116.61 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.351 . . . . 72.32 111.105 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -118.32 141.74 48.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 75.23 110.921 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -153.84 132.68 12.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 65.41 110.849 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 2.9 mtmm -102.91 131.41 49.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 54.14 110.891 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -85.45 160.61 53.56 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.607 0.718 . . . . 54.1 110.833 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -14.24 35.64 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.682 2.254 . . . . 72.0 112.363 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -75.91 -22.0 56.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 73.24 110.901 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.48 -33.64 5.16 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.7 -0.762 . . . . 73.21 112.498 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -67.26 130.94 44.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.937 0.399 . . . . 75.13 110.843 -179.721 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 6.7 t -97.73 131.7 44.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.481 . . . . 64.11 111.164 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.1 mp -125.14 117.4 23.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 71.4 110.962 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.6 m -114.01 141.21 47.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 64.33 110.838 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.587 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -91.36 160.43 37.06 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.588 0.709 . . . . 73.44 111.113 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.587 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 54.3 Cg_endo -69.7 -18.66 37.18 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.731 2.287 . . . . 63.5 112.348 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.2 t70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 74.25 110.911 179.951 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.431 -0.268 . . . . 71.32 112.431 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 66.9 mt -81.91 127.51 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.932 0.396 . . . . 65.32 111.117 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.9 m -115.08 137.22 52.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 55.51 110.88 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -135.94 137.62 41.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 75.21 110.874 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -93.99 132.77 38.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 61.43 110.889 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.41 160.48 53.95 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.638 0.732 . . . . 72.01 110.837 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -17.1 37.97 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.65 2.233 . . . . 74.03 112.408 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -75.68 -22.13 56.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 75.14 110.838 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 111.74 -30.38 7.84 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.755 -0.736 . . . . 21.31 112.46 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.7 p -59.91 147.72 37.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.93 0.395 . . . . 72.23 110.915 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 82.3 m -93.09 121.7 34.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.129 -0.487 . . . . 74.11 111.169 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 mp -120.78 142.24 49.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 74.52 110.953 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 57.0 m -139.47 151.99 46.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 73.34 110.928 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.584 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -104.26 160.46 25.98 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.556 0.693 . . . . 30.05 111.097 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.584 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 53.8 Cg_endo -69.72 -15.05 37.04 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.656 2.237 . . . . 61.31 112.349 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 74.33 110.865 179.954 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.541 -0.224 . . . . 64.42 112.541 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 58.7 mt -65.34 139.87 20.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 72.21 111.135 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.1 m -140.63 122.86 15.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 71.33 110.873 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -141.22 159.12 42.89 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.167 -0.469 . . . . 73.1 110.859 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.3 ptpp? -115.66 137.71 51.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 72.14 110.876 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -80.04 160.61 68.2 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.64 0.733 . . . . 71.5 110.862 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.76 -17.12 37.73 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.665 2.244 . . . . 71.22 112.319 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -79.69 -22.06 43.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 63.11 110.878 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.53 17.85 10.17 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.704 -0.76 . . . . 72.15 112.496 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.5 p -98.92 138.01 36.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.917 0.389 . . . . 72.33 110.876 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -94.77 122.66 37.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 74.24 111.112 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 89.3 mt -136.94 141.23 42.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 54.33 110.864 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 45.2 m -139.97 144.0 36.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 74.42 110.898 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.568 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -86.24 160.42 51.65 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.607 0.718 . . . . 74.32 111.119 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.568 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 54.0 Cg_endo -69.78 -20.0 35.32 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.703 2.268 . . . . 73.1 112.3 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 72.52 110.83 179.931 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.481 -0.248 . . . . 73.41 112.481 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 69.6 mt -99.19 110.39 26.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.819 0.342 . . . . 70.22 111.114 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.6 m -111.16 123.21 49.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 74.52 110.917 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 30.5 p90 -145.87 133.38 20.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 63.32 110.837 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -90.02 139.96 30.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 73.44 110.867 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -88.96 160.55 43.25 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.586 0.707 . . . . 60.03 110.922 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.64 -16.62 38.14 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.694 2.263 . . . . 75.21 112.402 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -76.25 -22.04 55.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 72.51 110.859 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.11 -22.06 12.69 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.666 -0.778 . . . . 71.21 112.45 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.8 m -77.49 150.07 34.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.907 0.384 . . . . 75.22 110.923 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.4 t -102.72 133.56 47.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 62.04 111.167 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -128.92 114.28 16.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 72.44 110.871 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 m -113.47 144.72 42.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 75.42 110.906 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.591 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -98.98 160.5 27.57 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.579 0.704 . . . . 51.32 111.045 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.591 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 54.3 Cg_endo -69.76 -20.52 34.74 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.602 2.201 . . . . 62.43 112.359 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 62.41 110.884 179.922 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 N-CA-C 112.509 -0.236 . . . . 74.23 112.509 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 51.9 mm -99.4 111.89 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.88 0.371 . . . . 44.32 111.163 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -102.29 131.91 48.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 64.32 110.912 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 19.5 p90 -144.93 140.09 28.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 74.01 110.896 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -88.48 124.27 33.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 71.0 110.8 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -72.95 160.65 82.39 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.645 0.736 . . . . 62.5 110.872 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -14.95 36.89 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.639 2.226 . . . . 72.4 112.406 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -83.95 -22.25 31.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 74.21 110.896 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.44 -21.13 26.81 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.772 -0.728 . . . . 61.44 112.435 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.57 159.78 10.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.013 0.435 . . . . 53.11 110.82 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.2 m -103.31 112.63 25.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.053 -0.521 . . . . 70.41 111.111 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.1 mt -129.95 145.82 51.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 75.53 110.932 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 21.1 m -135.01 165.24 25.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 43.23 110.903 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.56 ' HB1' ' HD2' ' A' ' 15' ' ' PRO . . . -104.45 160.2 26.82 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.548 0.69 . . . . 55.23 111.122 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.56 ' HD2' ' HB1' ' A' ' 14' ' ' ALA . 54.6 Cg_endo -69.66 -19.96 35.91 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.698 2.266 . . . . 71.44 112.377 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.199 -0.455 . . . . 61.43 110.89 179.907 . . . . . . . . 0 0 . 1 stop_ save_