data_2lwt_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 2lwt _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.429 -0.268 . . . . 71.33 112.429 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 -96.27 49.55 1.13 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.85 0.357 . . . . 75.33 110.846 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -161.56 148.41 14.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 74.3 110.904 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -102.29 124.52 48.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 73.42 110.873 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -117.5 157.12 26.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 75.45 110.902 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 45.5 m -140.06 117.79 11.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 73.15 110.847 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.1 pt -112.01 154.09 44.34 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.66 0.743 . . . . 74.32 111.126 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.76 125.88 12.66 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 122.683 2.255 . . . . 75.21 112.326 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.41 -171.58 23.9 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.643 -0.789 . . . . 71.03 112.527 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.98 -25.48 14.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.747 0.308 . . . . 74.12 110.731 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -117.02 -39.84 3.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.375 -0.375 . . . . 74.41 110.88 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -155.82 167.79 29.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 73.3 110.878 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.01 128.31 35.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 73.45 111.128 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -107.78 99.66 9.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 74.54 110.893 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.1 m -103.07 157.68 16.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 71.42 110.837 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -153.43 174.54 14.24 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.127 -0.488 . . . . 74.14 110.917 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.3 mmm -107.01 94.78 5.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.023 -0.535 . . . . 73.54 110.899 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.6 t70 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.443 . . . . 71.34 110.901 179.946 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.478 -0.249 . . . . 64.34 112.478 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 17.3 mtt85 -96.26 49.4 1.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.77 0.319 . . . . 74.25 110.846 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -161.56 148.51 14.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 72.15 110.858 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.7 ttt180 -102.27 124.49 47.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.016 -0.538 . . . . 74.13 110.894 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 -117.4 157.24 26.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 73.44 110.862 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 46.3 m -140.04 117.73 11.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 70.11 110.938 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.5 pt -112.08 154.13 44.38 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.583 0.706 . . . . 64.24 111.168 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.83 125.86 12.59 Favored 'Trans proline' 0 N--CA 1.466 -0.141 0 C-N-CA 122.631 2.221 . . . . 70.42 112.424 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.21 -171.67 24.09 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.721 -0.752 . . . . 70.4 112.506 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.88 -25.46 14.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.801 0.334 . . . . 72.24 110.823 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -117.1 -39.72 3.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 74.31 110.878 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -156.02 167.74 29.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 70.24 110.82 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.75 128.9 38.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 70.42 111.007 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -108.6 99.52 8.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 75.34 111.011 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.8 m -102.93 157.66 16.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.123 -0.489 . . . . 71.41 110.875 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 28.2 p90 -153.35 174.51 14.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.115 -0.493 . . . . 73.21 110.916 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 34.2 mtt -106.96 94.95 5.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 74.54 110.841 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.0 t0 . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.253 -0.43 . . . . 62.55 110.879 179.934 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.574 -0.21 . . . . 73.15 112.574 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -96.44 49.46 1.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.834 0.349 . . . . 64.24 110.781 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -161.55 148.47 14.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 74.04 110.87 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -102.27 124.65 48.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.1 -0.5 . . . . 73.2 110.944 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.6 mtm180 -117.86 157.29 26.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 73.23 110.768 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 45.6 m -140.03 117.84 11.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.053 -0.521 . . . . 72.22 110.821 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.2 pt -112.18 154.15 44.45 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.68 0.752 . . . . 73.22 111.121 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.76 125.94 12.73 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.669 2.246 . . . . 72.12 112.332 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.75 -170.27 23.51 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.723 -0.751 . . . . 70.13 112.562 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.76 -25.6 13.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.782 0.325 . . . . 72.44 110.933 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -116.79 -39.81 3.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 75.21 110.79 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -156.0 167.61 29.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 75.42 110.893 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.07 127.09 29.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 61.13 111.062 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -105.98 99.62 9.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 74.44 110.865 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.1 m -102.81 157.61 16.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 65.25 110.805 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.6 p90 -153.41 174.62 14.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.092 -0.504 . . . . 74.03 110.934 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.3 mmt -107.26 95.01 5.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 75.33 110.779 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.1 t70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 73.33 110.895 179.893 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.55 -0.22 . . . . 74.42 112.55 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 42.7 mtt-85 -95.99 49.41 1.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.742 0.306 . . . . 75.53 110.804 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -161.43 148.54 14.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 71.31 110.889 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -102.39 124.61 48.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.099 -0.5 . . . . 70.11 110.88 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 -117.67 157.29 26.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 75.23 110.854 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 44.7 m -139.94 117.83 11.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 73.53 110.949 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.7 pt -112.32 154.11 44.57 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.703 0.764 . . . . 72.1 111.042 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.69 125.89 12.71 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.704 2.269 . . . . 64.14 112.306 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.59 -170.77 23.68 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.758 -0.734 . . . . 75.24 112.494 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.4 ttm -101.41 -25.68 13.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.746 0.308 . . . . 73.33 110.869 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -116.46 -39.89 3.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 75.3 110.916 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.5 ptt180 -156.37 167.74 29.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.113 -0.494 . . . . 74.42 110.806 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.63 127.55 32.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 72.51 111.136 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -106.98 99.54 9.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 73.32 110.919 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.8 m -102.7 157.63 16.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 75.52 110.924 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 32.3 p90 -153.3 174.57 14.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 74.44 110.855 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 6.7 mtt -106.99 94.87 5.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.083 -0.508 . . . . 74.24 110.98 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.3 t0 . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 116.276 -0.42 . . . . 72.12 110.859 -180.0 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.434 0 N-CA-C 112.459 -0.256 . . . . 51.15 112.459 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.26 49.48 1.13 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.818 0.342 . . . . 75.44 110.908 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -161.59 148.5 14.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.085 -0.507 . . . . 74.42 110.962 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -102.23 124.55 48.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 74.44 110.941 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.2 mtm180 -117.63 157.36 26.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 75.24 110.868 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.8 m -140.04 117.79 11.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 65.03 110.832 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.6 pt -112.36 154.11 44.6 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.628 0.728 . . . . 75.53 111.097 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 125.89 12.67 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.733 2.289 . . . . 74.12 112.272 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.97 -169.71 23.29 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.801 -0.714 . . . . 74.51 112.474 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.2 ttt -102.07 -25.62 13.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.795 0.331 . . . . 75.02 110.963 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -116.44 -39.83 3.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 75.54 110.817 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.9 ptt-85 -156.46 167.64 29.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 74.11 110.811 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.82 126.19 26.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 71.21 111.156 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -105.12 99.69 9.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 75.23 110.863 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.2 m -102.67 157.59 16.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 63.23 110.815 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 27.7 p90 -153.33 174.48 14.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 75.3 110.943 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 35.0 mtt -106.91 94.85 5.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 71.14 110.894 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.2 t0 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 72.4 110.888 -179.97 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.46 -0.256 . . . . 54.41 112.46 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -96.01 49.7 1.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.834 0.349 . . . . 72.44 110.875 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -161.27 148.71 15.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.479 . . . . 75.41 110.95 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -101.15 124.29 46.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 74.22 110.877 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.4 mtp180 -116.83 155.99 28.05 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.237 -0.438 . . . . 65.52 110.868 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.0 m -139.99 117.73 11.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.101 -0.499 . . . . 72.35 110.96 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.3 pt -112.67 154.09 44.84 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.624 0.726 . . . . 75.45 111.139 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 125.91 12.67 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.625 2.216 . . . . 70.21 112.366 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.3 -171.55 23.99 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.822 -0.704 . . . . 73.01 112.476 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.1 ttt -100.88 -25.69 14.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.882 0.373 . . . . 75.32 110.984 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -116.88 -39.94 3.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 71.33 110.842 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -155.8 167.68 29.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.182 -0.463 . . . . 74.35 110.861 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.75 128.39 36.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 65.22 111.116 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -108.02 99.53 8.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 75.2 110.974 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.1 m -103.22 157.75 16.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.07 -0.514 . . . . 75.31 110.929 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.7 p90 -153.34 174.78 13.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 72.51 110.964 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 23.9 mmm -106.61 94.75 5.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 70.24 110.803 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.2 t0 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 75.12 110.886 179.948 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.502 -0.239 . . . . 75.25 112.502 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 33.5 mtm180 -96.16 49.52 1.14 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.847 0.356 . . . . 75.23 110.885 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -161.16 148.67 15.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 74.41 110.953 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -101.24 124.03 46.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.197 -0.456 . . . . 74.53 110.852 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -116.4 156.1 27.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 72.21 110.89 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 36.7 m -140.11 117.86 11.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 72.43 110.757 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.1 pt -113.06 154.1 45.14 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.682 0.753 . . . . 64.44 111.126 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.81 125.85 12.6 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.715 2.277 . . . . 75.31 112.281 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.33 -170.97 23.92 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.831 -0.7 . . . . 71.21 112.487 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.7 ttt -101.29 -25.49 13.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.854 0.359 . . . . 74.44 110.992 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -116.8 -39.91 3.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 73.15 110.911 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -156.15 167.72 29.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.121 -0.49 . . . . 75.01 110.828 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.75 127.25 30.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 72.21 111.101 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -106.77 99.62 9.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 75.4 110.89 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.3 m -103.1 157.68 16.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 72.55 110.866 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.3 p90 -153.29 174.78 13.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 75.32 110.826 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 10.6 mtp -106.46 94.65 5.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.016 -0.538 . . . . 62.43 110.884 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.5 t70 . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 116.283 -0.417 . . . . 74.3 110.834 179.952 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.228 0 N-CA-C 112.504 -0.238 . . . . 72.14 112.504 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.15 49.56 1.14 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.767 0.318 . . . . 72.43 110.9 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -161.34 148.71 14.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.163 -0.472 . . . . 74.53 110.909 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 47.8 ttt180 -101.11 124.25 46.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.495 . . . . 71.45 110.853 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -116.79 156.04 27.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 71.4 110.87 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 39.0 m -139.97 117.71 11.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.214 -0.448 . . . . 74.21 110.812 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 6.2 pt -112.87 154.0 45.02 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.662 0.744 . . . . 64.25 111.145 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.64 125.78 12.61 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.705 2.27 . . . . 71.1 112.383 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.49 -169.98 23.74 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.741 -0.743 . . . . 62.22 112.513 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.06 -25.64 13.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.787 0.327 . . . . 63.21 110.891 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -116.56 -39.99 3.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.269 -0.423 . . . . 75.52 110.923 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -155.83 167.69 29.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 75.51 110.887 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.97 126.74 28.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 70.1 111.159 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -105.84 99.6 9.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.284 -0.417 . . . . 75.04 110.925 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.6 m -103.04 157.64 16.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.167 -0.47 . . . . 73.22 110.878 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -153.32 174.68 14.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.214 -0.448 . . . . 75.54 110.942 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.5 mmt -106.52 94.72 5.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 74.45 110.923 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.6 t0 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 75.21 110.815 -179.946 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.211 0 N-CA-C 112.505 -0.238 . . . . 64.12 112.505 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 68.0 mtm180 -96.29 49.49 1.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.844 0.354 . . . . 75.43 110.866 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -161.25 148.73 15.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 75.35 110.889 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.1 ttt180 -101.26 123.86 46.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.084 -0.507 . . . . 73.43 110.88 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.4 mtp180 -116.33 156.14 27.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.299 -0.409 . . . . 75.43 110.897 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 39.8 m -140.13 117.74 11.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.484 . . . . 72.25 110.889 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.7 pt -112.9 154.15 45.0 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.657 0.741 . . . . 75.13 111.067 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 125.75 12.5 Favored 'Trans proline' 0 N--CA 1.464 -0.215 0 C-N-CA 122.777 2.318 . . . . 72.32 112.372 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.48 -169.47 23.73 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.739 . . . . 61.25 112.512 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -102.38 -25.47 13.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.806 0.336 . . . . 73.52 110.92 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -117.09 -39.8 3.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 75.22 110.93 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -155.67 167.69 29.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 70.11 110.861 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.05 126.47 27.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 72.34 111.04 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -105.4 99.65 9.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 75.54 110.896 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.2 m -103.1 157.61 16.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 71.23 110.905 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.1 p90 -153.36 174.8 13.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 74.12 110.946 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 9.2 mmm -106.59 94.73 5.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.109 -0.496 . . . . 73.14 110.859 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.9 t0 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 74.04 110.91 179.93 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.509 -0.237 . . . . 61.51 112.509 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -96.16 49.57 1.14 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.863 0.363 . . . . 74.53 110.952 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -161.39 148.7 14.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.44 . . . . 73.35 110.908 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -101.17 124.26 46.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 74.14 110.935 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -116.88 156.16 27.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 74.01 110.909 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 38.2 m -140.09 117.8 11.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 63.25 110.805 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.3 pt -112.93 154.15 45.02 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.607 0.718 . . . . 71.1 111.174 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 125.96 12.73 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.665 2.243 . . . . 74.41 112.366 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.77 -168.87 23.44 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.707 -0.759 . . . . 63.53 112.487 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.78 -25.33 13.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.756 0.313 . . . . 72.44 110.85 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -116.91 -39.86 3.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.318 -0.401 . . . . 74.45 110.781 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -155.98 167.69 29.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.298 -0.41 . . . . 74.42 110.9 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.13 125.7 24.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 71.24 111.156 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -104.5 99.59 9.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 75.33 110.884 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.1 m -102.77 157.68 16.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.075 -0.511 . . . . 61.05 110.961 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.6 p90 -153.34 174.62 14.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.149 -0.478 . . . . 73.21 111.013 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 29.7 mtp -106.35 94.75 5.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 64.32 110.968 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.3 t70 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 72.04 110.865 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.612 -0.195 . . . . 65.41 112.612 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 54.7 mtt180 -96.53 49.31 1.1 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.799 0.333 . . . . 71.3 110.819 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -161.55 148.4 14.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 75.43 110.946 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.3 ttm-85 -102.08 124.35 47.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 75.43 110.94 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.6 mtm180 -117.29 157.21 26.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 74.33 110.897 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 47.5 m -139.98 117.81 11.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 71.42 110.918 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.6 pt -111.95 154.11 44.29 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.557 0.694 . . . . 74.41 111.076 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.85 125.95 12.69 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.642 2.228 . . . . 72.53 112.343 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.68 -173.97 23.0 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.713 -0.756 . . . . 74.15 112.482 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.4 tpp -99.51 -25.36 14.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.754 0.311 . . . . 74.32 110.862 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -115.18 -40.04 3.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.298 -0.41 . . . . 73.11 110.87 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.05 167.58 29.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 75.52 110.833 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.13 126.73 28.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 64.3 111.01 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -106.46 99.74 9.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 70.41 110.911 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.0 m -102.84 157.58 16.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.1 -0.5 . . . . 73.43 110.826 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 26.9 p90 -153.37 174.55 14.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 74.52 110.946 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 43.2 mtp -107.13 94.87 5.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.097 -0.502 . . . . 73.52 110.894 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.2 t70 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 72.4 110.917 179.936 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.436 0 N-CA-C 112.427 -0.269 . . . . 62.14 112.427 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 24.4 mtt180 -98.48 45.38 1.01 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.844 0.354 . . . . 75.44 110.861 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -160.77 149.0 16.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 72.31 110.917 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.0 ttt85 -101.97 121.06 41.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 75.43 110.919 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -110.34 159.28 17.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 65.21 110.854 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 45.7 m -140.1 117.72 11.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 74.31 110.981 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 17.0 pt -112.18 154.08 44.47 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.613 0.72 . . . . 73.12 111.143 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.68 125.87 12.7 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.693 2.262 . . . . 52.21 112.319 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.85 -171.76 24.43 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.856 -0.687 . . . . 74.2 112.548 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -100.68 -25.7 14.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.937 0.399 . . . . 75.31 110.978 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -117.17 -39.87 3.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 73.32 110.914 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.7 ptt85 -155.62 167.7 29.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 63.42 110.903 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.35 130.87 48.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 73.55 111.171 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -111.27 99.73 8.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 72.1 110.865 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.6 m -102.89 157.69 16.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 75.2 110.822 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -153.24 174.9 13.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.071 -0.513 . . . . 74.22 110.996 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.4 mmt -105.4 94.77 5.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 75.13 110.908 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.1 t70 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 45.4 110.789 -179.895 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.453 -0.259 . . . . 74.05 112.453 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.77 49.27 1.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 72.41 110.929 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -161.17 148.52 15.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 73.21 110.902 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -101.11 124.06 46.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 73.11 110.915 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -116.37 156.11 27.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.162 -0.472 . . . . 71.32 110.942 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 38.7 m -140.04 117.65 11.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.437 . . . . 73.25 110.886 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.0 pt -112.9 154.04 45.03 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.607 0.717 . . . . 71.21 111.234 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 125.87 12.7 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.783 2.322 . . . . 72.44 112.328 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.62 -170.0 23.62 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.606 -0.807 . . . . 64.33 112.477 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -101.97 -25.69 13.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.892 0.377 . . . . 74.42 110.962 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -116.56 -39.9 3.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 73.34 110.872 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.3 ptt-85 -156.06 167.84 29.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 64.2 110.821 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.93 126.84 28.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 74.1 111.096 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -105.94 99.61 9.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 64.44 110.941 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.4 m -103.16 157.78 16.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 71.21 110.859 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.5 p90 -153.33 174.65 14.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 73.13 110.831 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 10.7 mtp -106.36 94.73 5.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.04 -0.527 . . . . 73.41 110.911 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.5 t0 . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.371 -0.377 . . . . 75.04 110.792 -179.939 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.422 -0.271 . . . . 62.4 112.422 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 35.3 mtm-85 -101.22 44.02 1.03 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.903 0.382 . . . . 75.12 110.902 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -160.51 149.5 17.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 74.23 110.958 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -100.97 116.69 33.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.081 -0.509 . . . . 74.11 110.903 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 44.6 mtp85 -105.65 162.13 13.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 75.15 110.804 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 52.1 m -140.09 117.71 11.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 74.32 110.946 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 6.5 pt -111.47 154.13 43.91 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.596 0.713 . . . . 75.25 111.153 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 125.75 12.51 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.727 2.284 . . . . 75.13 112.314 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.85 -170.65 24.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.689 -0.767 . . . . 72.04 112.453 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.4 ttt -101.19 -25.34 14.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.712 0.291 . . . . 71.14 110.891 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -117.53 -39.9 3.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.272 -0.422 . . . . 75.01 110.866 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.9 ptt180 -155.97 167.8 29.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 74.33 110.824 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.1 131.09 49.44 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.079 -0.51 . . . . 74.51 111.107 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -111.56 99.74 8.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 73.43 110.922 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 59.6 m -102.2 156.45 17.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.084 -0.507 . . . . 73.41 110.836 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 38.1 p90 -153.56 174.72 14.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 74.22 110.972 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 7.5 mmt -101.91 93.08 5.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 74.03 110.948 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.9 t70 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.327 -0.397 . . . . 74.04 110.916 179.98 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.5 -0.24 . . . . 73.32 112.5 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.7 mtt85 -101.87 43.68 1.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.762 0.315 . . . . 74.34 110.94 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -160.59 149.44 16.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 71.4 110.877 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -100.22 116.26 31.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 74.23 110.956 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 44.4 mtt-85 -106.0 162.89 13.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.297 -0.411 . . . . 74.21 110.829 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 53.6 m -140.01 117.91 11.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 61.43 110.932 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.5 pt -111.13 154.03 43.69 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.546 0.689 . . . . 64.5 111.136 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 125.77 12.57 Favored 'Trans proline' 0 N--CA 1.467 -0.082 0 C-N-CA 122.665 2.243 . . . . 75.12 112.369 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.16 -168.9 24.01 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.753 -0.737 . . . . 62.24 112.475 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.18 -26.53 13.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.922 0.391 . . . . 60.1 110.949 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -116.36 -39.85 3.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.484 . . . . 75.42 110.898 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -156.09 167.81 29.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 75.34 110.895 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.12 130.79 48.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.253 -0.43 . . . . 75.42 111.021 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -110.78 99.58 8.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 73.25 110.936 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.7 m -101.68 155.86 17.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 72.42 110.863 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 36.1 p90 -153.61 174.72 14.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 72.22 110.846 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 6.9 mtp -100.72 92.82 5.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 73.23 110.83 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.5 t70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 73.01 110.821 179.888 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.165 0 N-CA-C 112.446 -0.261 . . . . 73.03 112.446 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 15.8 mtp180 -96.09 49.72 1.15 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.867 0.365 . . . . 74.41 110.83 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -161.41 148.8 14.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 73.45 110.842 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.26 124.04 46.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.013 -0.54 . . . . 75.43 110.854 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -116.64 156.14 27.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 71.22 110.855 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 39.8 m -140.04 117.72 11.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 71.31 110.832 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.2 pt -112.58 154.25 44.73 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.585 0.707 . . . . 73.45 111.09 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -69.93 125.99 12.69 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.606 2.204 . . . . 74.41 112.272 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.99 -165.19 22.26 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.811 -0.709 . . . . 74.21 112.484 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.9 -34.73 7.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.682 0.277 . . . . 72.22 110.831 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -107.18 -41.23 5.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.378 -0.373 . . . . 74.35 110.935 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.61 167.76 29.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 73.54 110.915 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.77 128.86 38.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 64.41 111.118 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -106.75 99.63 9.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 72.5 110.862 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.3 m -103.18 157.63 16.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.078 -0.51 . . . . 73.15 110.906 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -153.17 174.75 13.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 73.25 110.943 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.6 mmt -106.55 94.66 5.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 72.31 110.936 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.8 t70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 64.02 110.845 -179.985 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 N-CA-C 112.509 -0.236 . . . . 74.44 112.509 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 26.3 mtt-85 -100.55 43.62 1.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.784 0.326 . . . . 72.2 110.819 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -160.26 149.05 17.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.28 -0.418 . . . . 62.43 110.991 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -102.81 120.83 41.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 75.3 110.884 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.8 mmm-85 -110.79 163.94 13.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.153 -0.476 . . . . 75.34 110.963 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 52.8 m -140.04 117.81 11.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.29 -0.414 . . . . 73.21 110.91 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 15.4 pt -111.34 154.11 43.82 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.581 0.705 . . . . 75.12 111.076 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 125.81 12.57 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.698 2.266 . . . . 74.52 112.302 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.02 -168.46 24.13 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.713 -0.756 . . . . 72.32 112.561 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -102.47 -25.51 13.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.828 0.347 . . . . 70.55 110.807 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -117.43 -39.86 3.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.26 -0.427 . . . . 73.32 110.856 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -155.89 167.76 29.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 64.51 110.898 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.93 130.42 46.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 73.41 111.062 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -110.49 99.63 8.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 72.54 111.018 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.9 m -101.47 156.14 17.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 62.03 110.873 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.0 p90 -153.5 174.72 14.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 75.44 110.861 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 18.8 mtt -104.44 94.71 5.48 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.111 -0.495 . . . . 72.11 110.913 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.0 t70 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.472 . . . . 75.03 110.815 -179.946 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.468 -0.253 . . . . 72.15 112.468 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -101.91 43.86 1.04 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.893 0.378 . . . . 72.51 110.979 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -160.45 149.54 17.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 72.12 110.873 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -99.92 116.8 32.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 71.43 110.916 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 44.0 mtt-85 -107.39 163.23 13.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 75.03 110.859 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.6 m -139.86 117.81 11.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 71.11 110.917 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.2 pt -109.8 154.25 42.63 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.724 0.773 . . . . 75.55 111.119 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.74 125.84 12.63 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.675 2.25 . . . . 64.11 112.323 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.71 -174.11 26.88 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.786 -0.721 . . . . 74.33 112.474 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.15 -25.62 14.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.737 0.303 . . . . 75.42 110.779 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -120.66 -39.71 2.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 75.4 110.812 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.47 167.83 27.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 75.14 110.858 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.59 139.85 58.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 74.04 111.1 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -122.07 99.64 6.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 74.23 110.891 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.3 m -102.6 155.71 18.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 73.43 110.863 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -153.58 174.79 14.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 75.35 110.896 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 32.2 mtp -99.97 92.44 5.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 74.52 110.849 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.6 t70 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 74.51 110.887 179.924 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.485 -0.246 . . . . 73.05 112.485 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -100.97 43.79 1.04 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.789 0.328 . . . . 73.54 110.87 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -160.29 149.61 17.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 71.3 110.877 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.4 ttt180 -101.73 117.64 35.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.505 . . . . 74.5 110.84 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.8 mtt-85 -106.83 161.78 14.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 73.02 110.902 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 51.1 m -140.04 117.82 11.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 74.34 110.862 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.8 pt -111.63 154.08 44.05 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.667 0.746 . . . . 73.23 111.074 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 125.86 12.63 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.729 2.286 . . . . 74.3 112.306 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.84 -170.48 24.36 Favored Glycine 0 C--N 1.332 0.342 0 C-N-CA 120.625 -0.797 . . . . 75.44 112.45 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -101.21 -25.76 13.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.904 0.383 . . . . 74.13 110.954 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -117.34 -39.81 3.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.873 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -155.67 167.86 29.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.465 . . . . 72.12 110.877 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.28 131.45 50.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 75.02 111.102 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -111.85 99.58 8.23 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.209 -0.451 . . . . 75.04 110.881 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 59.5 m -102.1 156.72 17.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 75.13 110.964 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -153.48 174.74 14.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.236 -0.438 . . . . 73.51 110.977 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 15.9 mtt -102.96 93.51 5.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 73.22 110.887 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.3 t70 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 74.52 110.889 -179.973 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.544 -0.223 . . . . 74.13 112.544 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -101.47 43.84 1.04 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.866 0.365 . . . . 73.15 110.883 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -160.47 149.52 17.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 72.41 110.982 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -100.75 116.71 33.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.106 -0.497 . . . . 72.44 110.94 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 44.8 mtp85 -106.09 162.26 13.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 64.35 110.88 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 53.4 m -140.07 117.82 11.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 74.5 110.964 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.2 pt -110.99 154.16 43.54 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.613 0.72 . . . . 74.12 111.148 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 125.84 12.59 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.642 2.228 . . . . 60.14 112.424 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.88 -172.71 25.49 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.746 -0.74 . . . . 75.35 112.438 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.2 ttt -99.58 -25.66 14.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.839 0.352 . . . . 74.51 110.935 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -118.68 -39.75 2.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 75.14 110.886 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.36 167.8 28.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.085 -0.507 . . . . 75.33 110.834 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.36 135.12 57.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 74.14 111.178 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -116.42 99.69 7.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.425 . . . . 74.34 110.935 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 59.3 m -102.6 156.36 17.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 74.4 110.869 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 37.0 p90 -153.48 174.75 14.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 73.1 110.945 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 26.0 mtt -101.81 93.01 5.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.437 . . . . 75.45 110.93 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.8 t0 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 74.0 110.985 179.953 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.429 -0.268 . . . . 71.33 112.429 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 -96.27 49.55 1.13 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.85 0.357 . . . . 75.33 110.846 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -161.56 148.41 14.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 74.3 110.904 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -102.29 124.52 48.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 73.42 110.873 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -117.5 157.12 26.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 75.45 110.902 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 45.5 m -140.06 117.79 11.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 73.15 110.847 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.1 pt -112.01 154.09 44.34 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.66 0.743 . . . . 74.32 111.126 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.76 125.88 12.66 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 122.683 2.255 . . . . 75.21 112.326 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.41 -171.58 23.9 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.643 -0.789 . . . . 71.03 112.527 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.98 -25.48 14.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.747 0.308 . . . . 74.12 110.731 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -117.02 -39.84 3.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.375 -0.375 . . . . 74.41 110.88 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -155.82 167.79 29.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 73.3 110.878 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.01 128.31 35.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 73.45 111.128 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -107.78 99.66 9.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 74.54 110.893 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.1 m -103.07 157.68 16.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 71.42 110.837 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -153.43 174.54 14.24 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.127 -0.488 . . . . 74.14 110.917 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.3 mmm -107.01 94.78 5.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.023 -0.535 . . . . 73.54 110.899 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.6 t70 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.443 . . . . 71.34 110.901 179.946 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.478 -0.249 . . . . 64.34 112.478 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 17.3 mtt85 -96.26 49.4 1.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.77 0.319 . . . . 74.25 110.846 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -161.56 148.51 14.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 72.15 110.858 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.7 ttt180 -102.27 124.49 47.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.016 -0.538 . . . . 74.13 110.894 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 -117.4 157.24 26.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 73.44 110.862 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 46.3 m -140.04 117.73 11.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 70.11 110.938 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.5 pt -112.08 154.13 44.38 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.583 0.706 . . . . 64.24 111.168 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.83 125.86 12.59 Favored 'Trans proline' 0 N--CA 1.466 -0.141 0 C-N-CA 122.631 2.221 . . . . 70.42 112.424 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.21 -171.67 24.09 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.721 -0.752 . . . . 70.4 112.506 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.88 -25.46 14.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.801 0.334 . . . . 72.24 110.823 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -117.1 -39.72 3.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 74.31 110.878 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -156.02 167.74 29.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 70.24 110.82 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.75 128.9 38.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 70.42 111.007 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -108.6 99.52 8.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 75.34 111.011 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.8 m -102.93 157.66 16.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.123 -0.489 . . . . 71.41 110.875 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 28.2 p90 -153.35 174.51 14.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.115 -0.493 . . . . 73.21 110.916 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 34.2 mtt -106.96 94.95 5.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 74.54 110.841 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.0 t0 . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.253 -0.43 . . . . 62.55 110.879 179.934 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.574 -0.21 . . . . 73.15 112.574 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -96.44 49.46 1.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.834 0.349 . . . . 64.24 110.781 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -161.55 148.47 14.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 74.04 110.87 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -102.27 124.65 48.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.1 -0.5 . . . . 73.2 110.944 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.6 mtm180 -117.86 157.29 26.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 73.23 110.768 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 45.6 m -140.03 117.84 11.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.053 -0.521 . . . . 72.22 110.821 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.2 pt -112.18 154.15 44.45 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.68 0.752 . . . . 73.22 111.121 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.76 125.94 12.73 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.669 2.246 . . . . 72.12 112.332 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.75 -170.27 23.51 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.723 -0.751 . . . . 70.13 112.562 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.76 -25.6 13.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.782 0.325 . . . . 72.44 110.933 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -116.79 -39.81 3.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 75.21 110.79 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -156.0 167.61 29.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 75.42 110.893 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.07 127.09 29.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 61.13 111.062 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -105.98 99.62 9.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 74.44 110.865 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.1 m -102.81 157.61 16.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 65.25 110.805 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.6 p90 -153.41 174.62 14.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.092 -0.504 . . . . 74.03 110.934 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.3 mmt -107.26 95.01 5.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 75.33 110.779 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.1 t70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 73.33 110.895 179.893 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.55 -0.22 . . . . 74.42 112.55 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 42.7 mtt-85 -95.99 49.41 1.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.742 0.306 . . . . 75.53 110.804 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -161.43 148.54 14.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 71.31 110.889 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -102.39 124.61 48.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.099 -0.5 . . . . 70.11 110.88 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 -117.67 157.29 26.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 75.23 110.854 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 44.7 m -139.94 117.83 11.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 73.53 110.949 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.7 pt -112.32 154.11 44.57 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.703 0.764 . . . . 72.1 111.042 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.69 125.89 12.71 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.704 2.269 . . . . 64.14 112.306 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.59 -170.77 23.68 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.758 -0.734 . . . . 75.24 112.494 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.4 ttm -101.41 -25.68 13.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.746 0.308 . . . . 73.33 110.869 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -116.46 -39.89 3.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 75.3 110.916 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.5 ptt180 -156.37 167.74 29.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.113 -0.494 . . . . 74.42 110.806 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.63 127.55 32.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 72.51 111.136 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -106.98 99.54 9.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 73.32 110.919 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.8 m -102.7 157.63 16.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 75.52 110.924 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 32.3 p90 -153.3 174.57 14.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 74.44 110.855 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 6.7 mtt -106.99 94.87 5.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.083 -0.508 . . . . 74.24 110.98 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.3 t0 . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 116.276 -0.42 . . . . 72.12 110.859 -180.0 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.434 0 N-CA-C 112.459 -0.256 . . . . 51.15 112.459 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.26 49.48 1.13 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.818 0.342 . . . . 75.44 110.908 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -161.59 148.5 14.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.085 -0.507 . . . . 74.42 110.962 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -102.23 124.55 48.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 74.44 110.941 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.2 mtm180 -117.63 157.36 26.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 75.24 110.868 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.8 m -140.04 117.79 11.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 65.03 110.832 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.6 pt -112.36 154.11 44.6 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.628 0.728 . . . . 75.53 111.097 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 125.89 12.67 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.733 2.289 . . . . 74.12 112.272 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.97 -169.71 23.29 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.801 -0.714 . . . . 74.51 112.474 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.2 ttt -102.07 -25.62 13.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.795 0.331 . . . . 75.02 110.963 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -116.44 -39.83 3.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 75.54 110.817 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.9 ptt-85 -156.46 167.64 29.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 74.11 110.811 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.82 126.19 26.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 71.21 111.156 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -105.12 99.69 9.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 75.23 110.863 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.2 m -102.67 157.59 16.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 63.23 110.815 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 27.7 p90 -153.33 174.48 14.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 75.3 110.943 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 35.0 mtt -106.91 94.85 5.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 71.14 110.894 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.2 t0 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 72.4 110.888 -179.97 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.46 -0.256 . . . . 54.41 112.46 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -96.01 49.7 1.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.834 0.349 . . . . 72.44 110.875 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -161.27 148.71 15.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.479 . . . . 75.41 110.95 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -101.15 124.29 46.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 74.22 110.877 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.4 mtp180 -116.83 155.99 28.05 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.237 -0.438 . . . . 65.52 110.868 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.0 m -139.99 117.73 11.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.101 -0.499 . . . . 72.35 110.96 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.3 pt -112.67 154.09 44.84 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.624 0.726 . . . . 75.45 111.139 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 125.91 12.67 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.625 2.216 . . . . 70.21 112.366 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.3 -171.55 23.99 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.822 -0.704 . . . . 73.01 112.476 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.1 ttt -100.88 -25.69 14.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.882 0.373 . . . . 75.32 110.984 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -116.88 -39.94 3.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 71.33 110.842 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -155.8 167.68 29.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.182 -0.463 . . . . 74.35 110.861 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.75 128.39 36.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 65.22 111.116 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -108.02 99.53 8.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 75.2 110.974 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.1 m -103.22 157.75 16.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.07 -0.514 . . . . 75.31 110.929 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.7 p90 -153.34 174.78 13.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 72.51 110.964 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 23.9 mmm -106.61 94.75 5.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 70.24 110.803 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.2 t0 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 75.12 110.886 179.948 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.502 -0.239 . . . . 75.25 112.502 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 33.5 mtm180 -96.16 49.52 1.14 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.847 0.356 . . . . 75.23 110.885 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -161.16 148.67 15.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 74.41 110.953 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -101.24 124.03 46.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.197 -0.456 . . . . 74.53 110.852 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -116.4 156.1 27.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 72.21 110.89 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 36.7 m -140.11 117.86 11.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 72.43 110.757 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.1 pt -113.06 154.1 45.14 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.682 0.753 . . . . 64.44 111.126 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.81 125.85 12.6 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.715 2.277 . . . . 75.31 112.281 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.33 -170.97 23.92 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.831 -0.7 . . . . 71.21 112.487 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.7 ttt -101.29 -25.49 13.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.854 0.359 . . . . 74.44 110.992 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -116.8 -39.91 3.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 73.15 110.911 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -156.15 167.72 29.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.121 -0.49 . . . . 75.01 110.828 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.75 127.25 30.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 72.21 111.101 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -106.77 99.62 9.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 75.4 110.89 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.3 m -103.1 157.68 16.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 72.55 110.866 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.3 p90 -153.29 174.78 13.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 75.32 110.826 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 10.6 mtp -106.46 94.65 5.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.016 -0.538 . . . . 62.43 110.884 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.5 t70 . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 116.283 -0.417 . . . . 74.3 110.834 179.952 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.228 0 N-CA-C 112.504 -0.238 . . . . 72.14 112.504 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.15 49.56 1.14 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.767 0.318 . . . . 72.43 110.9 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -161.34 148.71 14.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.163 -0.472 . . . . 74.53 110.909 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 47.8 ttt180 -101.11 124.25 46.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.495 . . . . 71.45 110.853 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -116.79 156.04 27.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 71.4 110.87 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 39.0 m -139.97 117.71 11.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.214 -0.448 . . . . 74.21 110.812 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 6.2 pt -112.87 154.0 45.02 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.662 0.744 . . . . 64.25 111.145 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.64 125.78 12.61 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.705 2.27 . . . . 71.1 112.383 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.49 -169.98 23.74 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.741 -0.743 . . . . 62.22 112.513 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.06 -25.64 13.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.787 0.327 . . . . 63.21 110.891 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -116.56 -39.99 3.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.269 -0.423 . . . . 75.52 110.923 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -155.83 167.69 29.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 75.51 110.887 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.97 126.74 28.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 70.1 111.159 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -105.84 99.6 9.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.284 -0.417 . . . . 75.04 110.925 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.6 m -103.04 157.64 16.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.167 -0.47 . . . . 73.22 110.878 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -153.32 174.68 14.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.214 -0.448 . . . . 75.54 110.942 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.5 mmt -106.52 94.72 5.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 74.45 110.923 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.6 t0 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 75.21 110.815 -179.946 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.211 0 N-CA-C 112.505 -0.238 . . . . 64.12 112.505 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 68.0 mtm180 -96.29 49.49 1.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.844 0.354 . . . . 75.43 110.866 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -161.25 148.73 15.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 75.35 110.889 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.1 ttt180 -101.26 123.86 46.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.084 -0.507 . . . . 73.43 110.88 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.4 mtp180 -116.33 156.14 27.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.299 -0.409 . . . . 75.43 110.897 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 39.8 m -140.13 117.74 11.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.484 . . . . 72.25 110.889 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.7 pt -112.9 154.15 45.0 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.657 0.741 . . . . 75.13 111.067 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 125.75 12.5 Favored 'Trans proline' 0 N--CA 1.464 -0.215 0 C-N-CA 122.777 2.318 . . . . 72.32 112.372 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.48 -169.47 23.73 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.739 . . . . 61.25 112.512 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -102.38 -25.47 13.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.806 0.336 . . . . 73.52 110.92 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -117.09 -39.8 3.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 75.22 110.93 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -155.67 167.69 29.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 70.11 110.861 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.05 126.47 27.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 72.34 111.04 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -105.4 99.65 9.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 75.54 110.896 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.2 m -103.1 157.61 16.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 71.23 110.905 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.1 p90 -153.36 174.8 13.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 74.12 110.946 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 9.2 mmm -106.59 94.73 5.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.109 -0.496 . . . . 73.14 110.859 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.9 t0 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 74.04 110.91 179.93 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.509 -0.237 . . . . 61.51 112.509 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -96.16 49.57 1.14 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.863 0.363 . . . . 74.53 110.952 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -161.39 148.7 14.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.44 . . . . 73.35 110.908 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -101.17 124.26 46.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 74.14 110.935 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -116.88 156.16 27.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 74.01 110.909 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 38.2 m -140.09 117.8 11.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 63.25 110.805 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.3 pt -112.93 154.15 45.02 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.607 0.718 . . . . 71.1 111.174 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 125.96 12.73 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.665 2.243 . . . . 74.41 112.366 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.77 -168.87 23.44 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.707 -0.759 . . . . 63.53 112.487 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.78 -25.33 13.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.756 0.313 . . . . 72.44 110.85 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -116.91 -39.86 3.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.318 -0.401 . . . . 74.45 110.781 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -155.98 167.69 29.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.298 -0.41 . . . . 74.42 110.9 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.13 125.7 24.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 71.24 111.156 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -104.5 99.59 9.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 75.33 110.884 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.1 m -102.77 157.68 16.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.075 -0.511 . . . . 61.05 110.961 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.6 p90 -153.34 174.62 14.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.149 -0.478 . . . . 73.21 111.013 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 29.7 mtp -106.35 94.75 5.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 64.32 110.968 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.3 t70 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 72.04 110.865 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.612 -0.195 . . . . 65.41 112.612 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 54.7 mtt180 -96.53 49.31 1.1 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.799 0.333 . . . . 71.3 110.819 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -161.55 148.4 14.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 75.43 110.946 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.3 ttm-85 -102.08 124.35 47.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 75.43 110.94 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.6 mtm180 -117.29 157.21 26.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 74.33 110.897 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 47.5 m -139.98 117.81 11.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 71.42 110.918 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.6 pt -111.95 154.11 44.29 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.557 0.694 . . . . 74.41 111.076 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.85 125.95 12.69 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.642 2.228 . . . . 72.53 112.343 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.68 -173.97 23.0 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.713 -0.756 . . . . 74.15 112.482 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.4 tpp -99.51 -25.36 14.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.754 0.311 . . . . 74.32 110.862 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -115.18 -40.04 3.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.298 -0.41 . . . . 73.11 110.87 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.05 167.58 29.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 75.52 110.833 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.13 126.73 28.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 64.3 111.01 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -106.46 99.74 9.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 70.41 110.911 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.0 m -102.84 157.58 16.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.1 -0.5 . . . . 73.43 110.826 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 26.9 p90 -153.37 174.55 14.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 74.52 110.946 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 43.2 mtp -107.13 94.87 5.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.097 -0.502 . . . . 73.52 110.894 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.2 t70 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 72.4 110.917 179.936 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.436 0 N-CA-C 112.427 -0.269 . . . . 62.14 112.427 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 24.4 mtt180 -98.48 45.38 1.01 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.844 0.354 . . . . 75.44 110.861 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -160.77 149.0 16.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 72.31 110.917 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.0 ttt85 -101.97 121.06 41.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 75.43 110.919 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -110.34 159.28 17.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 65.21 110.854 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 45.7 m -140.1 117.72 11.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 74.31 110.981 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 17.0 pt -112.18 154.08 44.47 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.613 0.72 . . . . 73.12 111.143 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.68 125.87 12.7 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.693 2.262 . . . . 52.21 112.319 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.85 -171.76 24.43 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.856 -0.687 . . . . 74.2 112.548 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -100.68 -25.7 14.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.937 0.399 . . . . 75.31 110.978 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -117.17 -39.87 3.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 73.32 110.914 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.7 ptt85 -155.62 167.7 29.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 63.42 110.903 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.35 130.87 48.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 73.55 111.171 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -111.27 99.73 8.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 72.1 110.865 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.6 m -102.89 157.69 16.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 75.2 110.822 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -153.24 174.9 13.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.071 -0.513 . . . . 74.22 110.996 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.4 mmt -105.4 94.77 5.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 75.13 110.908 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.1 t70 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 45.4 110.789 -179.895 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.453 -0.259 . . . . 74.05 112.453 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.77 49.27 1.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 72.41 110.929 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -161.17 148.52 15.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 73.21 110.902 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -101.11 124.06 46.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 73.11 110.915 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -116.37 156.11 27.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.162 -0.472 . . . . 71.32 110.942 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 38.7 m -140.04 117.65 11.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.437 . . . . 73.25 110.886 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.0 pt -112.9 154.04 45.03 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.607 0.717 . . . . 71.21 111.234 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 125.87 12.7 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.783 2.322 . . . . 72.44 112.328 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.62 -170.0 23.62 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.606 -0.807 . . . . 64.33 112.477 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -101.97 -25.69 13.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.892 0.377 . . . . 74.42 110.962 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -116.56 -39.9 3.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 73.34 110.872 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.3 ptt-85 -156.06 167.84 29.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 64.2 110.821 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.93 126.84 28.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 74.1 111.096 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -105.94 99.61 9.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 64.44 110.941 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.4 m -103.16 157.78 16.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 71.21 110.859 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.5 p90 -153.33 174.65 14.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 73.13 110.831 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 10.7 mtp -106.36 94.73 5.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.04 -0.527 . . . . 73.41 110.911 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.5 t0 . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.371 -0.377 . . . . 75.04 110.792 -179.939 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.422 -0.271 . . . . 62.4 112.422 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 35.3 mtm-85 -101.22 44.02 1.03 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.903 0.382 . . . . 75.12 110.902 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -160.51 149.5 17.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 74.23 110.958 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -100.97 116.69 33.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.081 -0.509 . . . . 74.11 110.903 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 44.6 mtp85 -105.65 162.13 13.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 75.15 110.804 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 52.1 m -140.09 117.71 11.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 74.32 110.946 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 6.5 pt -111.47 154.13 43.91 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.596 0.713 . . . . 75.25 111.153 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 125.75 12.51 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.727 2.284 . . . . 75.13 112.314 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.85 -170.65 24.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.689 -0.767 . . . . 72.04 112.453 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.4 ttt -101.19 -25.34 14.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.712 0.291 . . . . 71.14 110.891 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -117.53 -39.9 3.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.272 -0.422 . . . . 75.01 110.866 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.9 ptt180 -155.97 167.8 29.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 74.33 110.824 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.1 131.09 49.44 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.079 -0.51 . . . . 74.51 111.107 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -111.56 99.74 8.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 73.43 110.922 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 59.6 m -102.2 156.45 17.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.084 -0.507 . . . . 73.41 110.836 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 38.1 p90 -153.56 174.72 14.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 74.22 110.972 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 7.5 mmt -101.91 93.08 5.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 74.03 110.948 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.9 t70 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.327 -0.397 . . . . 74.04 110.916 179.98 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.5 -0.24 . . . . 73.32 112.5 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.7 mtt85 -101.87 43.68 1.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.762 0.315 . . . . 74.34 110.94 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -160.59 149.44 16.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 71.4 110.877 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -100.22 116.26 31.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 74.23 110.956 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 44.4 mtt-85 -106.0 162.89 13.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.297 -0.411 . . . . 74.21 110.829 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 53.6 m -140.01 117.91 11.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 61.43 110.932 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.5 pt -111.13 154.03 43.69 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.546 0.689 . . . . 64.5 111.136 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 125.77 12.57 Favored 'Trans proline' 0 N--CA 1.467 -0.082 0 C-N-CA 122.665 2.243 . . . . 75.12 112.369 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.16 -168.9 24.01 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.753 -0.737 . . . . 62.24 112.475 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.18 -26.53 13.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.922 0.391 . . . . 60.1 110.949 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -116.36 -39.85 3.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.484 . . . . 75.42 110.898 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -156.09 167.81 29.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 75.34 110.895 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.12 130.79 48.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.253 -0.43 . . . . 75.42 111.021 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -110.78 99.58 8.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 73.25 110.936 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.7 m -101.68 155.86 17.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 72.42 110.863 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 36.1 p90 -153.61 174.72 14.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 72.22 110.846 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 6.9 mtp -100.72 92.82 5.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 73.23 110.83 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.5 t70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 73.01 110.821 179.888 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.165 0 N-CA-C 112.446 -0.261 . . . . 73.03 112.446 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 15.8 mtp180 -96.09 49.72 1.15 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.867 0.365 . . . . 74.41 110.83 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -161.41 148.8 14.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 73.45 110.842 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.26 124.04 46.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.013 -0.54 . . . . 75.43 110.854 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -116.64 156.14 27.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 71.22 110.855 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 39.8 m -140.04 117.72 11.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 71.31 110.832 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.2 pt -112.58 154.25 44.73 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.585 0.707 . . . . 73.45 111.09 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -69.93 125.99 12.69 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.606 2.204 . . . . 74.41 112.272 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.99 -165.19 22.26 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.811 -0.709 . . . . 74.21 112.484 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.9 -34.73 7.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.682 0.277 . . . . 72.22 110.831 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -107.18 -41.23 5.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.378 -0.373 . . . . 74.35 110.935 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.61 167.76 29.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 73.54 110.915 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.77 128.86 38.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 64.41 111.118 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -106.75 99.63 9.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 72.5 110.862 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.3 m -103.18 157.63 16.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.078 -0.51 . . . . 73.15 110.906 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -153.17 174.75 13.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 73.25 110.943 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.6 mmt -106.55 94.66 5.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 72.31 110.936 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.8 t70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 64.02 110.845 -179.985 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 N-CA-C 112.509 -0.236 . . . . 74.44 112.509 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 26.3 mtt-85 -100.55 43.62 1.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.784 0.326 . . . . 72.2 110.819 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -160.26 149.05 17.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.28 -0.418 . . . . 62.43 110.991 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -102.81 120.83 41.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 75.3 110.884 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.8 mmm-85 -110.79 163.94 13.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.153 -0.476 . . . . 75.34 110.963 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 52.8 m -140.04 117.81 11.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.29 -0.414 . . . . 73.21 110.91 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 15.4 pt -111.34 154.11 43.82 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.581 0.705 . . . . 75.12 111.076 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 125.81 12.57 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.698 2.266 . . . . 74.52 112.302 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.02 -168.46 24.13 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.713 -0.756 . . . . 72.32 112.561 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -102.47 -25.51 13.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.828 0.347 . . . . 70.55 110.807 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -117.43 -39.86 3.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.26 -0.427 . . . . 73.32 110.856 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -155.89 167.76 29.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 64.51 110.898 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.93 130.42 46.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 73.41 111.062 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -110.49 99.63 8.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 72.54 111.018 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.9 m -101.47 156.14 17.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 62.03 110.873 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.0 p90 -153.5 174.72 14.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 75.44 110.861 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 18.8 mtt -104.44 94.71 5.48 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.111 -0.495 . . . . 72.11 110.913 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.0 t70 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.472 . . . . 75.03 110.815 -179.946 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.468 -0.253 . . . . 72.15 112.468 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -101.91 43.86 1.04 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.893 0.378 . . . . 72.51 110.979 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -160.45 149.54 17.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 72.12 110.873 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -99.92 116.8 32.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 71.43 110.916 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 44.0 mtt-85 -107.39 163.23 13.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 75.03 110.859 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.6 m -139.86 117.81 11.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 71.11 110.917 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.2 pt -109.8 154.25 42.63 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.724 0.773 . . . . 75.55 111.119 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.74 125.84 12.63 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.675 2.25 . . . . 64.11 112.323 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.71 -174.11 26.88 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.786 -0.721 . . . . 74.33 112.474 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.15 -25.62 14.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.737 0.303 . . . . 75.42 110.779 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -120.66 -39.71 2.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 75.4 110.812 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.47 167.83 27.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 75.14 110.858 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.59 139.85 58.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 74.04 111.1 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -122.07 99.64 6.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 74.23 110.891 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.3 m -102.6 155.71 18.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 73.43 110.863 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -153.58 174.79 14.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 75.35 110.896 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 32.2 mtp -99.97 92.44 5.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 74.52 110.849 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.6 t70 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 74.51 110.887 179.924 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.485 -0.246 . . . . 73.05 112.485 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -100.97 43.79 1.04 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.789 0.328 . . . . 73.54 110.87 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -160.29 149.61 17.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 71.3 110.877 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.4 ttt180 -101.73 117.64 35.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.505 . . . . 74.5 110.84 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.8 mtt-85 -106.83 161.78 14.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 73.02 110.902 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 51.1 m -140.04 117.82 11.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 74.34 110.862 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.8 pt -111.63 154.08 44.05 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.667 0.746 . . . . 73.23 111.074 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 125.86 12.63 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.729 2.286 . . . . 74.3 112.306 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.84 -170.48 24.36 Favored Glycine 0 C--N 1.332 0.342 0 C-N-CA 120.625 -0.797 . . . . 75.44 112.45 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -101.21 -25.76 13.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.904 0.383 . . . . 74.13 110.954 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -117.34 -39.81 3.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.873 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -155.67 167.86 29.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.465 . . . . 72.12 110.877 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.28 131.45 50.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 75.02 111.102 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -111.85 99.58 8.23 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.209 -0.451 . . . . 75.04 110.881 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 59.5 m -102.1 156.72 17.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 75.13 110.964 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -153.48 174.74 14.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.236 -0.438 . . . . 73.51 110.977 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 15.9 mtt -102.96 93.51 5.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 73.22 110.887 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.3 t70 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 74.52 110.889 -179.973 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.544 -0.223 . . . . 74.13 112.544 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -101.47 43.84 1.04 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.866 0.365 . . . . 73.15 110.883 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -160.47 149.52 17.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 72.41 110.982 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -100.75 116.71 33.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.106 -0.497 . . . . 72.44 110.94 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 44.8 mtp85 -106.09 162.26 13.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 64.35 110.88 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 53.4 m -140.07 117.82 11.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 74.5 110.964 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.2 pt -110.99 154.16 43.54 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.613 0.72 . . . . 74.12 111.148 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 125.84 12.59 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.642 2.228 . . . . 60.14 112.424 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.88 -172.71 25.49 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.746 -0.74 . . . . 75.35 112.438 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.2 ttt -99.58 -25.66 14.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.839 0.352 . . . . 74.51 110.935 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -118.68 -39.75 2.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 75.14 110.886 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.36 167.8 28.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.085 -0.507 . . . . 75.33 110.834 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.36 135.12 57.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 74.14 111.178 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -116.42 99.69 7.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.425 . . . . 74.34 110.935 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 59.3 m -102.6 156.36 17.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 74.4 110.869 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 37.0 p90 -153.48 174.75 14.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 73.1 110.945 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 26.0 mtt -101.81 93.01 5.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.437 . . . . 75.45 110.93 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.8 t0 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 74.0 110.985 179.953 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.429 -0.268 . . . . 71.33 112.429 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 -96.27 49.55 1.13 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.85 0.357 . . . . 75.33 110.846 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -161.56 148.41 14.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 72.3 110.904 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -102.29 124.52 48.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 73.42 110.873 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -117.5 157.12 26.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 72.21 110.902 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 45.5 m -140.06 117.79 11.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 31.31 110.847 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.1 pt -112.01 154.09 44.34 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.66 0.743 . . . . 74.32 111.126 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.76 125.88 12.66 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 122.683 2.255 . . . . 75.21 112.326 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.41 -171.58 23.9 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.643 -0.789 . . . . 71.03 112.527 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.98 -25.48 14.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.747 0.308 . . . . 63.54 110.731 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -117.02 -39.84 3.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.375 -0.375 . . . . 74.41 110.88 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -155.82 167.79 29.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 73.3 110.878 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.01 128.31 35.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 73.45 111.128 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -107.78 99.66 9.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 60.45 110.893 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.1 m -103.07 157.68 16.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 71.42 110.837 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -153.43 174.54 14.24 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.127 -0.488 . . . . 73.22 110.917 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.3 mmm -107.01 94.78 5.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.023 -0.535 . . . . 62.34 110.899 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.6 t70 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.443 . . . . 71.34 110.901 179.946 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.478 -0.249 . . . . 34.21 112.478 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 17.3 mtt85 -96.26 49.4 1.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.77 0.319 . . . . 73.12 110.846 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -161.56 148.51 14.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 72.15 110.858 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.7 ttt180 -102.27 124.49 47.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.016 -0.538 . . . . 73.33 110.894 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 -117.4 157.24 26.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 73.44 110.862 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 46.3 m -140.04 117.73 11.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 53.42 110.938 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.5 pt -112.08 154.13 44.38 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.583 0.706 . . . . 64.24 111.168 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.83 125.86 12.59 Favored 'Trans proline' 0 N--CA 1.466 -0.141 0 C-N-CA 122.631 2.221 . . . . 70.42 112.424 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.21 -171.67 24.09 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.721 -0.752 . . . . 70.4 112.506 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.88 -25.46 14.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.801 0.334 . . . . 65.14 110.823 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -117.1 -39.72 3.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 74.31 110.878 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -156.02 167.74 29.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 70.24 110.82 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.75 128.9 38.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 45.34 111.007 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -108.6 99.52 8.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 75.34 111.011 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.8 m -102.93 157.66 16.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.123 -0.489 . . . . 71.41 110.875 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 28.2 p90 -153.35 174.51 14.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.115 -0.493 . . . . 63.3 110.916 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 34.2 mtt -106.96 94.95 5.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 74.54 110.841 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.0 t0 . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.253 -0.43 . . . . 62.55 110.879 179.934 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.574 -0.21 . . . . 54.42 112.574 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -96.44 49.46 1.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.834 0.349 . . . . 64.24 110.781 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -161.55 148.47 14.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 74.04 110.87 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -102.27 124.65 48.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.1 -0.5 . . . . 73.2 110.944 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.6 mtm180 -117.86 157.29 26.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 63.33 110.768 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 45.6 m -140.03 117.84 11.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.053 -0.521 . . . . 72.22 110.821 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.2 pt -112.18 154.15 44.45 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.68 0.752 . . . . 65.43 111.121 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.76 125.94 12.73 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.669 2.246 . . . . 72.12 112.332 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.75 -170.27 23.51 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.723 -0.751 . . . . 70.13 112.562 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.76 -25.6 13.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.782 0.325 . . . . 64.12 110.933 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -116.79 -39.81 3.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 75.21 110.79 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -156.0 167.61 29.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 74.34 110.893 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.07 127.09 29.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 54.25 111.062 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -105.98 99.62 9.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 70.21 110.865 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.1 m -102.81 157.61 16.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 65.25 110.805 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.6 p90 -153.41 174.62 14.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.092 -0.504 . . . . 74.03 110.934 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.3 mmt -107.26 95.01 5.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 63.35 110.779 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.1 t70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 73.33 110.895 179.893 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.55 -0.22 . . . . 74.42 112.55 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 42.7 mtt-85 -95.99 49.41 1.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.742 0.306 . . . . 75.53 110.804 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -161.43 148.54 14.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 54.33 110.889 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -102.39 124.61 48.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.099 -0.5 . . . . 53.31 110.88 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 -117.67 157.29 26.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 75.23 110.854 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 44.7 m -139.94 117.83 11.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 73.53 110.949 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.7 pt -112.32 154.11 44.57 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.703 0.764 . . . . 65.43 111.042 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.69 125.89 12.71 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.704 2.269 . . . . 64.14 112.306 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.59 -170.77 23.68 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.758 -0.734 . . . . 75.24 112.494 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.4 ttm -101.41 -25.68 13.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.746 0.308 . . . . 73.33 110.869 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -116.46 -39.89 3.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 74.44 110.916 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.5 ptt180 -156.37 167.74 29.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.113 -0.494 . . . . 53.42 110.806 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.63 127.55 32.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 72.51 111.136 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -106.98 99.54 9.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 73.32 110.919 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.8 m -102.7 157.63 16.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 75.52 110.924 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 32.3 p90 -153.3 174.57 14.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 72.44 110.855 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 6.7 mtt -106.99 94.87 5.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.083 -0.508 . . . . 72.14 110.98 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.3 t0 . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 116.276 -0.42 . . . . 63.34 110.859 -180.0 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.434 0 N-CA-C 112.459 -0.256 . . . . 51.15 112.459 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.26 49.48 1.13 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.818 0.342 . . . . 72.2 110.908 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -161.59 148.5 14.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.085 -0.507 . . . . 55.22 110.962 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -102.23 124.55 48.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 74.2 110.941 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.2 mtm180 -117.63 157.36 26.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 75.24 110.868 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.8 m -140.04 117.79 11.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 65.03 110.832 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.6 pt -112.36 154.11 44.6 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.628 0.728 . . . . 75.53 111.097 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 125.89 12.67 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.733 2.289 . . . . 74.12 112.272 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.97 -169.71 23.29 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.801 -0.714 . . . . 72.34 112.474 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.2 ttt -102.07 -25.62 13.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.795 0.331 . . . . 73.01 110.963 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -116.44 -39.83 3.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 75.54 110.817 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.9 ptt-85 -156.46 167.64 29.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 74.11 110.811 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.82 126.19 26.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 70.22 111.156 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -105.12 99.69 9.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 75.23 110.863 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.2 m -102.67 157.59 16.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 62.14 110.815 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 27.7 p90 -153.33 174.48 14.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 75.3 110.943 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 35.0 mtt -106.91 94.85 5.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 55.21 110.894 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.2 t0 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 64.23 110.888 -179.97 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.46 -0.256 . . . . 54.41 112.46 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -96.01 49.7 1.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.834 0.349 . . . . 63.24 110.875 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -161.27 148.71 15.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.479 . . . . 75.41 110.95 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -101.15 124.29 46.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 74.22 110.877 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.4 mtp180 -116.83 155.99 28.05 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.237 -0.438 . . . . 65.52 110.868 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.0 m -139.99 117.73 11.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.101 -0.499 . . . . 72.35 110.96 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.3 pt -112.67 154.09 44.84 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.624 0.726 . . . . 75.45 111.139 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 125.91 12.67 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.625 2.216 . . . . 64.44 112.366 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.3 -171.55 23.99 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.822 -0.704 . . . . 73.01 112.476 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.1 ttt -100.88 -25.69 14.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.882 0.373 . . . . 72.3 110.984 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -116.88 -39.94 3.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 70.33 110.842 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -155.8 167.68 29.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.182 -0.463 . . . . 74.35 110.861 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.75 128.39 36.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 65.22 111.116 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -108.02 99.53 8.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 75.2 110.974 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.1 m -103.22 157.75 16.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.07 -0.514 . . . . 75.3 110.929 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.7 p90 -153.34 174.78 13.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 72.23 110.964 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 23.9 mmm -106.61 94.75 5.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 70.24 110.803 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.2 t0 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 75.12 110.886 179.948 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.502 -0.239 . . . . 75.25 112.502 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 33.5 mtm180 -96.16 49.52 1.14 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.847 0.356 . . . . 75.23 110.885 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -161.16 148.67 15.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 74.41 110.953 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -101.24 124.03 46.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.197 -0.456 . . . . 74.53 110.852 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -116.4 156.1 27.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 72.21 110.89 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 36.7 m -140.11 117.86 11.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 72.43 110.757 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.1 pt -113.06 154.1 45.14 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.682 0.753 . . . . 64.32 111.126 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.81 125.85 12.6 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.715 2.277 . . . . 73.03 112.281 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.33 -170.97 23.92 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.831 -0.7 . . . . 71.21 112.487 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.7 ttt -101.29 -25.49 13.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.854 0.359 . . . . 72.33 110.992 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -116.8 -39.91 3.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 72.24 110.911 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -156.15 167.72 29.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.121 -0.49 . . . . 62.4 110.828 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.75 127.25 30.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 72.21 111.101 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -106.77 99.62 9.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 75.4 110.89 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.3 m -103.1 157.68 16.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 72.55 110.866 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.3 p90 -153.29 174.78 13.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 75.32 110.826 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 10.6 mtp -106.46 94.65 5.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.016 -0.538 . . . . 53.54 110.884 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.5 t70 . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 116.283 -0.417 . . . . 74.3 110.834 179.952 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.228 0 N-CA-C 112.504 -0.238 . . . . 62.04 112.504 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.15 49.56 1.14 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.767 0.318 . . . . 72.43 110.9 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -161.34 148.71 14.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.163 -0.472 . . . . 74.53 110.909 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 47.8 ttt180 -101.11 124.25 46.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.495 . . . . 71.45 110.853 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -116.79 156.04 27.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 54.15 110.87 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 39.0 m -139.97 117.71 11.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.214 -0.448 . . . . 74.21 110.812 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 6.2 pt -112.87 154.0 45.02 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.662 0.744 . . . . 52.43 111.145 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.64 125.78 12.61 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.705 2.27 . . . . 63.31 112.383 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.49 -169.98 23.74 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.741 -0.743 . . . . 60.35 112.513 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.06 -25.64 13.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.787 0.327 . . . . 63.21 110.891 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -116.56 -39.99 3.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.269 -0.423 . . . . 75.52 110.923 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -155.83 167.69 29.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 75.51 110.887 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.97 126.74 28.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 70.1 111.159 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -105.84 99.6 9.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.284 -0.417 . . . . 75.04 110.925 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.6 m -103.04 157.64 16.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.167 -0.47 . . . . 71.33 110.878 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -153.32 174.68 14.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.214 -0.448 . . . . 75.54 110.942 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.5 mmt -106.52 94.72 5.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 55.42 110.923 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.6 t0 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 60.41 110.815 -179.946 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.211 0 N-CA-C 112.505 -0.238 . . . . 52.45 112.505 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 68.0 mtm180 -96.29 49.49 1.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.844 0.354 . . . . 73.23 110.866 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -161.25 148.73 15.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 64.33 110.889 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.1 ttt180 -101.26 123.86 46.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.084 -0.507 . . . . 71.23 110.88 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.4 mtp180 -116.33 156.14 27.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.299 -0.409 . . . . 74.1 110.897 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 39.8 m -140.13 117.74 11.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.484 . . . . 72.25 110.889 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.7 pt -112.9 154.15 45.0 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.657 0.741 . . . . 75.13 111.067 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 125.75 12.5 Favored 'Trans proline' 0 N--CA 1.464 -0.215 0 C-N-CA 122.777 2.318 . . . . 72.32 112.372 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.48 -169.47 23.73 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.739 . . . . 61.25 112.512 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -102.38 -25.47 13.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.806 0.336 . . . . 71.03 110.92 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -117.09 -39.8 3.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 75.22 110.93 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -155.67 167.69 29.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 70.11 110.861 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.05 126.47 27.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 72.03 111.04 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -105.4 99.65 9.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 71.41 110.896 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.2 m -103.1 157.61 16.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 71.23 110.905 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.1 p90 -153.36 174.8 13.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 74.12 110.946 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 9.2 mmm -106.59 94.73 5.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.109 -0.496 . . . . 73.14 110.859 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.9 t0 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 74.04 110.91 179.93 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.509 -0.237 . . . . 53.31 112.509 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -96.16 49.57 1.14 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.863 0.363 . . . . 74.53 110.952 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -161.39 148.7 14.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.44 . . . . 72.14 110.908 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -101.17 124.26 46.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 74.14 110.935 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -116.88 156.16 27.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 74.01 110.909 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 38.2 m -140.09 117.8 11.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 55.54 110.805 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.3 pt -112.93 154.15 45.02 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.607 0.718 . . . . 55.32 111.174 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 125.96 12.73 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.665 2.243 . . . . 74.41 112.366 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.77 -168.87 23.44 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.707 -0.759 . . . . 63.25 112.487 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.78 -25.33 13.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.756 0.313 . . . . 72.44 110.85 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -116.91 -39.86 3.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.318 -0.401 . . . . 74.45 110.781 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -155.98 167.69 29.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.298 -0.41 . . . . 74.42 110.9 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.13 125.7 24.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 50.23 111.156 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -104.5 99.59 9.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 74.53 110.884 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.1 m -102.77 157.68 16.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.075 -0.511 . . . . 61.05 110.961 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.6 p90 -153.34 174.62 14.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.149 -0.478 . . . . 64.22 111.013 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 29.7 mtp -106.35 94.75 5.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 64.32 110.968 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.3 t70 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 72.04 110.865 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.612 -0.195 . . . . 63.11 112.612 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 54.7 mtt180 -96.53 49.31 1.1 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.799 0.333 . . . . 71.3 110.819 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -161.55 148.4 14.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 75.43 110.946 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.3 ttm-85 -102.08 124.35 47.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 75.43 110.94 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.6 mtm180 -117.29 157.21 26.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 74.33 110.897 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 47.5 m -139.98 117.81 11.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 71.42 110.918 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.6 pt -111.95 154.11 44.29 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.557 0.694 . . . . 74.41 111.076 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.85 125.95 12.69 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.642 2.228 . . . . 72.53 112.343 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.68 -173.97 23.0 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.713 -0.756 . . . . 72.23 112.482 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.4 tpp -99.51 -25.36 14.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.754 0.311 . . . . 74.11 110.862 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -115.18 -40.04 3.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.298 -0.41 . . . . 73.11 110.87 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.05 167.58 29.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 75.52 110.833 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.13 126.73 28.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 64.3 111.01 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -106.46 99.74 9.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 70.41 110.911 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.0 m -102.84 157.58 16.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.1 -0.5 . . . . 73.43 110.826 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 26.9 p90 -153.37 174.55 14.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 74.52 110.946 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 43.2 mtp -107.13 94.87 5.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.097 -0.502 . . . . 73.52 110.894 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.2 t70 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 72.4 110.917 179.936 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.436 0 N-CA-C 112.427 -0.269 . . . . 53.51 112.427 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 24.4 mtt180 -98.48 45.38 1.01 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.844 0.354 . . . . 75.44 110.861 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -160.77 149.0 16.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 72.12 110.917 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.0 ttt85 -101.97 121.06 41.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 75.43 110.919 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -110.34 159.28 17.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 65.21 110.854 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 45.7 m -140.1 117.72 11.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 74.31 110.981 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 17.0 pt -112.18 154.08 44.47 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.613 0.72 . . . . 73.12 111.143 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.68 125.87 12.7 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.693 2.262 . . . . 52.21 112.319 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.85 -171.76 24.43 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.856 -0.687 . . . . 74.2 112.548 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -100.68 -25.7 14.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.937 0.399 . . . . 75.31 110.978 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -117.17 -39.87 3.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 72.13 110.914 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.7 ptt85 -155.62 167.7 29.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 63.42 110.903 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.35 130.87 48.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 62.03 111.171 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -111.27 99.73 8.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 72.1 110.865 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.6 m -102.89 157.69 16.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 75.2 110.822 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -153.24 174.9 13.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.071 -0.513 . . . . 74.22 110.996 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.4 mmt -105.4 94.77 5.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 61.3 110.908 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.1 t70 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 45.4 110.789 -179.895 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.453 -0.259 . . . . 74.05 112.453 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.77 49.27 1.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 72.41 110.929 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -161.17 148.52 15.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 73.21 110.902 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -101.11 124.06 46.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 71.51 110.915 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -116.37 156.11 27.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.162 -0.472 . . . . 71.32 110.942 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 38.7 m -140.04 117.65 11.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.437 . . . . 73.25 110.886 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.0 pt -112.9 154.04 45.03 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.607 0.717 . . . . 71.21 111.234 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 125.87 12.7 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.783 2.322 . . . . 72.44 112.328 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.62 -170.0 23.62 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.606 -0.807 . . . . 64.33 112.477 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -101.97 -25.69 13.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.892 0.377 . . . . 74.42 110.962 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -116.56 -39.9 3.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 62.24 110.872 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.3 ptt-85 -156.06 167.84 29.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 63.3 110.821 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.93 126.84 28.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 74.1 111.096 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -105.94 99.61 9.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 54.32 110.941 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.4 m -103.16 157.78 16.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 71.21 110.859 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.5 p90 -153.33 174.65 14.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 71.3 110.831 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 10.7 mtp -106.36 94.73 5.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.04 -0.527 . . . . 73.41 110.911 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.5 t0 . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.371 -0.377 . . . . 75.04 110.792 -179.939 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.422 -0.271 . . . . 32.22 112.422 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 35.3 mtm-85 -101.22 44.02 1.03 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.903 0.382 . . . . 73.25 110.902 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -160.51 149.5 17.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 74.23 110.958 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -100.97 116.69 33.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.081 -0.509 . . . . 64.35 110.903 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 44.6 mtp85 -105.65 162.13 13.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 75.15 110.804 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 52.1 m -140.09 117.71 11.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 74.32 110.946 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 6.5 pt -111.47 154.13 43.91 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.596 0.713 . . . . 75.25 111.153 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 125.75 12.51 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.727 2.284 . . . . 75.13 112.314 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.85 -170.65 24.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.689 -0.767 . . . . 72.04 112.453 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.4 ttt -101.19 -25.34 14.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.712 0.291 . . . . 71.14 110.891 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -117.53 -39.9 3.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.272 -0.422 . . . . 62.31 110.866 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.9 ptt180 -155.97 167.8 29.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 73.02 110.824 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.1 131.09 49.44 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.079 -0.51 . . . . 74.51 111.107 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -111.56 99.74 8.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 72.55 110.922 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 59.6 m -102.2 156.45 17.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.084 -0.507 . . . . 73.41 110.836 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 38.1 p90 -153.56 174.72 14.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 73.22 110.972 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 7.5 mmt -101.91 93.08 5.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 74.03 110.948 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.9 t70 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.327 -0.397 . . . . 74.04 110.916 179.98 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.5 -0.24 . . . . 73.32 112.5 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.7 mtt85 -101.87 43.68 1.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.762 0.315 . . . . 72.52 110.94 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -160.59 149.44 16.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 64.31 110.877 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -100.22 116.26 31.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 74.23 110.956 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 44.4 mtt-85 -106.0 162.89 13.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.297 -0.411 . . . . 55.33 110.829 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 53.6 m -140.01 117.91 11.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 61.43 110.932 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.5 pt -111.13 154.03 43.69 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.546 0.689 . . . . 63.31 111.136 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 125.77 12.57 Favored 'Trans proline' 0 N--CA 1.467 -0.082 0 C-N-CA 122.665 2.243 . . . . 75.12 112.369 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.16 -168.9 24.01 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.753 -0.737 . . . . 62.24 112.475 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.18 -26.53 13.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.922 0.391 . . . . 60.1 110.949 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -116.36 -39.85 3.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.484 . . . . 71.3 110.898 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -156.09 167.81 29.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 74.42 110.895 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.12 130.79 48.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.253 -0.43 . . . . 75.42 111.021 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -110.78 99.58 8.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 73.25 110.936 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.7 m -101.68 155.86 17.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 72.42 110.863 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 36.1 p90 -153.61 174.72 14.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 64.33 110.846 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 6.9 mtp -100.72 92.82 5.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 73.23 110.83 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.5 t70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 73.01 110.821 179.888 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.165 0 N-CA-C 112.446 -0.261 . . . . 51.34 112.446 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 15.8 mtp180 -96.09 49.72 1.15 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.867 0.365 . . . . 71.35 110.83 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -161.41 148.8 14.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 73.45 110.842 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.26 124.04 46.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.013 -0.54 . . . . 75.43 110.854 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -116.64 156.14 27.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 64.4 110.855 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 39.8 m -140.04 117.72 11.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 71.31 110.832 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.2 pt -112.58 154.25 44.73 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.585 0.707 . . . . 73.45 111.09 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -69.93 125.99 12.69 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.606 2.204 . . . . 55.24 112.272 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.99 -165.19 22.26 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.811 -0.709 . . . . 60.51 112.484 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.9 -34.73 7.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.682 0.277 . . . . 61.01 110.831 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -107.18 -41.23 5.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.378 -0.373 . . . . 74.35 110.935 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.61 167.76 29.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 73.53 110.915 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.77 128.86 38.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 64.41 111.118 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -106.75 99.63 9.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 72.44 110.862 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.3 m -103.18 157.63 16.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.078 -0.51 . . . . 72.42 110.906 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -153.17 174.75 13.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 72.54 110.943 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.6 mmt -106.55 94.66 5.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 72.22 110.936 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.8 t70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 64.02 110.845 -179.985 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 N-CA-C 112.509 -0.236 . . . . 63.42 112.509 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 26.3 mtt-85 -100.55 43.62 1.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.784 0.326 . . . . 72.2 110.819 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -160.26 149.05 17.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.28 -0.418 . . . . 62.43 110.991 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -102.81 120.83 41.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 75.3 110.884 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.8 mmm-85 -110.79 163.94 13.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.153 -0.476 . . . . 71.53 110.963 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 52.8 m -140.04 117.81 11.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.29 -0.414 . . . . 73.21 110.91 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 15.4 pt -111.34 154.11 43.82 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.581 0.705 . . . . 61.53 111.076 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 125.81 12.57 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.698 2.266 . . . . 74.52 112.302 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.02 -168.46 24.13 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.713 -0.756 . . . . 72.32 112.561 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -102.47 -25.51 13.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.828 0.347 . . . . 70.55 110.807 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -117.43 -39.86 3.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.26 -0.427 . . . . 73.32 110.856 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -155.89 167.76 29.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 64.51 110.898 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.93 130.42 46.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 42.12 111.062 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -110.49 99.63 8.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 71.2 111.018 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.9 m -101.47 156.14 17.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 62.03 110.873 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.0 p90 -153.5 174.72 14.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 75.44 110.861 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 18.8 mtt -104.44 94.71 5.48 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.111 -0.495 . . . . 72.11 110.913 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.0 t70 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.472 . . . . 34.42 110.815 -179.946 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.468 -0.253 . . . . 55.05 112.468 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -101.91 43.86 1.04 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.893 0.378 . . . . 64.05 110.979 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -160.45 149.54 17.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 71.12 110.873 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -99.92 116.8 32.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 60.21 110.916 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 44.0 mtt-85 -107.39 163.23 13.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 72.33 110.859 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.6 m -139.86 117.81 11.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 61.42 110.917 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.2 pt -109.8 154.25 42.63 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.724 0.773 . . . . 73.34 111.119 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.74 125.84 12.63 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.675 2.25 . . . . 64.11 112.323 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.71 -174.11 26.88 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.786 -0.721 . . . . 74.33 112.474 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.15 -25.62 14.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.737 0.303 . . . . 75.42 110.779 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -120.66 -39.71 2.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 74.12 110.812 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.47 167.83 27.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 75.14 110.858 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.59 139.85 58.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 54.23 111.1 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -122.07 99.64 6.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 74.23 110.891 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.3 m -102.6 155.71 18.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 73.43 110.863 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -153.58 174.79 14.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 74.12 110.896 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 32.2 mtp -99.97 92.44 5.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 64.33 110.849 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.6 t70 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 74.51 110.887 179.924 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.485 -0.246 . . . . 73.05 112.485 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -100.97 43.79 1.04 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.789 0.328 . . . . 73.54 110.87 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -160.29 149.61 17.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 71.3 110.877 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.4 ttt180 -101.73 117.64 35.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.505 . . . . 74.5 110.84 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.8 mtt-85 -106.83 161.78 14.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 73.02 110.902 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 51.1 m -140.04 117.82 11.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 63.12 110.862 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.8 pt -111.63 154.08 44.05 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.667 0.746 . . . . 73.23 111.074 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 125.86 12.63 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.729 2.286 . . . . 74.3 112.306 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.84 -170.48 24.36 Favored Glycine 0 C--N 1.332 0.342 0 C-N-CA 120.625 -0.797 . . . . 75.44 112.45 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -101.21 -25.76 13.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.904 0.383 . . . . 73.3 110.954 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -117.34 -39.81 3.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.873 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -155.67 167.86 29.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.465 . . . . 72.12 110.877 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.28 131.45 50.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 62.34 111.102 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -111.85 99.58 8.23 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.209 -0.451 . . . . 75.04 110.881 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 59.5 m -102.1 156.72 17.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 75.13 110.964 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -153.48 174.74 14.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.236 -0.438 . . . . 73.51 110.977 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 15.9 mtt -102.96 93.51 5.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 64.35 110.887 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.3 t70 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 74.52 110.889 -179.973 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.544 -0.223 . . . . 63.31 112.544 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -101.47 43.84 1.04 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.866 0.365 . . . . 72.31 110.883 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -160.47 149.52 17.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 71.41 110.982 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -100.75 116.71 33.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.106 -0.497 . . . . 71.31 110.94 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 44.8 mtp85 -106.09 162.26 13.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 54.03 110.88 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 53.4 m -140.07 117.82 11.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 74.5 110.964 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.2 pt -110.99 154.16 43.54 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.613 0.72 . . . . 73.34 111.148 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 125.84 12.59 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.642 2.228 . . . . 60.14 112.424 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.88 -172.71 25.49 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.746 -0.74 . . . . 61.42 112.438 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.2 ttt -99.58 -25.66 14.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.839 0.352 . . . . 74.23 110.935 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -118.68 -39.75 2.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 71.43 110.886 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.36 167.8 28.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.085 -0.507 . . . . 75.33 110.834 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.36 135.12 57.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 74.14 111.178 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -116.42 99.69 7.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.425 . . . . 74.34 110.935 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 59.3 m -102.6 156.36 17.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 62.41 110.869 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 37.0 p90 -153.48 174.75 14.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 60.13 110.945 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 26.0 mtt -101.81 93.01 5.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.437 . . . . 75.45 110.93 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.8 t0 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 74.0 110.985 179.953 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.429 -0.268 . . . . 71.33 112.429 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 -96.27 49.55 1.13 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.85 0.357 . . . . 75.33 110.846 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -161.56 148.41 14.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 72.3 110.904 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -102.29 124.52 48.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 73.42 110.873 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -117.5 157.12 26.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 72.21 110.902 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 45.5 m -140.06 117.79 11.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 31.31 110.847 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.1 pt -112.01 154.09 44.34 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.66 0.743 . . . . 74.32 111.126 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.76 125.88 12.66 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 122.683 2.255 . . . . 75.21 112.326 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.41 -171.58 23.9 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.643 -0.789 . . . . 71.03 112.527 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.98 -25.48 14.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.747 0.308 . . . . 63.54 110.731 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -117.02 -39.84 3.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.375 -0.375 . . . . 74.41 110.88 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -155.82 167.79 29.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 73.3 110.878 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.01 128.31 35.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 73.45 111.128 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -107.78 99.66 9.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 60.45 110.893 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.1 m -103.07 157.68 16.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 71.42 110.837 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -153.43 174.54 14.24 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.127 -0.488 . . . . 73.22 110.917 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.3 mmm -107.01 94.78 5.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.023 -0.535 . . . . 62.34 110.899 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.6 t70 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.443 . . . . 71.34 110.901 179.946 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.478 -0.249 . . . . 34.21 112.478 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 17.3 mtt85 -96.26 49.4 1.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.77 0.319 . . . . 73.12 110.846 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -161.56 148.51 14.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 72.15 110.858 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.7 ttt180 -102.27 124.49 47.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.016 -0.538 . . . . 73.33 110.894 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 -117.4 157.24 26.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 73.44 110.862 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 46.3 m -140.04 117.73 11.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 53.42 110.938 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.5 pt -112.08 154.13 44.38 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.583 0.706 . . . . 64.24 111.168 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.83 125.86 12.59 Favored 'Trans proline' 0 N--CA 1.466 -0.141 0 C-N-CA 122.631 2.221 . . . . 70.42 112.424 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.21 -171.67 24.09 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.721 -0.752 . . . . 70.4 112.506 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.88 -25.46 14.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.801 0.334 . . . . 65.14 110.823 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -117.1 -39.72 3.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 74.31 110.878 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -156.02 167.74 29.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 70.24 110.82 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.75 128.9 38.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 45.34 111.007 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -108.6 99.52 8.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 75.34 111.011 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.8 m -102.93 157.66 16.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.123 -0.489 . . . . 71.41 110.875 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 28.2 p90 -153.35 174.51 14.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.115 -0.493 . . . . 63.3 110.916 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 34.2 mtt -106.96 94.95 5.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 74.54 110.841 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.0 t0 . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.253 -0.43 . . . . 62.55 110.879 179.934 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.574 -0.21 . . . . 54.42 112.574 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -96.44 49.46 1.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.834 0.349 . . . . 64.24 110.781 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -161.55 148.47 14.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 74.04 110.87 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -102.27 124.65 48.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.1 -0.5 . . . . 73.2 110.944 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.6 mtm180 -117.86 157.29 26.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 63.33 110.768 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 45.6 m -140.03 117.84 11.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.053 -0.521 . . . . 72.22 110.821 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.2 pt -112.18 154.15 44.45 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.68 0.752 . . . . 65.43 111.121 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.76 125.94 12.73 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.669 2.246 . . . . 72.12 112.332 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.75 -170.27 23.51 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.723 -0.751 . . . . 70.13 112.562 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.76 -25.6 13.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.782 0.325 . . . . 64.12 110.933 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -116.79 -39.81 3.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 75.21 110.79 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -156.0 167.61 29.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 74.34 110.893 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.07 127.09 29.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 54.25 111.062 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -105.98 99.62 9.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 70.21 110.865 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.1 m -102.81 157.61 16.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 65.25 110.805 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.6 p90 -153.41 174.62 14.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.092 -0.504 . . . . 74.03 110.934 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.3 mmt -107.26 95.01 5.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 63.35 110.779 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.1 t70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 73.33 110.895 179.893 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.55 -0.22 . . . . 74.42 112.55 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 42.7 mtt-85 -95.99 49.41 1.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.742 0.306 . . . . 75.53 110.804 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -161.43 148.54 14.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 54.33 110.889 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -102.39 124.61 48.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.099 -0.5 . . . . 53.31 110.88 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 -117.67 157.29 26.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 75.23 110.854 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 44.7 m -139.94 117.83 11.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 73.53 110.949 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.7 pt -112.32 154.11 44.57 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.703 0.764 . . . . 65.43 111.042 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.69 125.89 12.71 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.704 2.269 . . . . 64.14 112.306 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.59 -170.77 23.68 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.758 -0.734 . . . . 75.24 112.494 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.4 ttm -101.41 -25.68 13.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.746 0.308 . . . . 73.33 110.869 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -116.46 -39.89 3.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 74.44 110.916 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.5 ptt180 -156.37 167.74 29.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.113 -0.494 . . . . 53.42 110.806 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.63 127.55 32.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 72.51 111.136 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -106.98 99.54 9.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 73.32 110.919 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.8 m -102.7 157.63 16.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 75.52 110.924 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 32.3 p90 -153.3 174.57 14.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 72.44 110.855 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 6.7 mtt -106.99 94.87 5.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.083 -0.508 . . . . 72.14 110.98 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.3 t0 . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 116.276 -0.42 . . . . 63.34 110.859 -180.0 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.434 0 N-CA-C 112.459 -0.256 . . . . 51.15 112.459 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.26 49.48 1.13 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.818 0.342 . . . . 72.2 110.908 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -161.59 148.5 14.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.085 -0.507 . . . . 55.22 110.962 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -102.23 124.55 48.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 74.2 110.941 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.2 mtm180 -117.63 157.36 26.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 75.24 110.868 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.8 m -140.04 117.79 11.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 65.03 110.832 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.6 pt -112.36 154.11 44.6 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.628 0.728 . . . . 75.53 111.097 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 125.89 12.67 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.733 2.289 . . . . 74.12 112.272 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.97 -169.71 23.29 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.801 -0.714 . . . . 72.34 112.474 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.2 ttt -102.07 -25.62 13.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.795 0.331 . . . . 73.01 110.963 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -116.44 -39.83 3.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 75.54 110.817 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.9 ptt-85 -156.46 167.64 29.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 74.11 110.811 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.82 126.19 26.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 70.22 111.156 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -105.12 99.69 9.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 75.23 110.863 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.2 m -102.67 157.59 16.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 62.14 110.815 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 27.7 p90 -153.33 174.48 14.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 75.3 110.943 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 35.0 mtt -106.91 94.85 5.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 55.21 110.894 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.2 t0 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 64.23 110.888 -179.97 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.46 -0.256 . . . . 54.41 112.46 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -96.01 49.7 1.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.834 0.349 . . . . 63.24 110.875 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -161.27 148.71 15.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.479 . . . . 75.41 110.95 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -101.15 124.29 46.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 74.22 110.877 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.4 mtp180 -116.83 155.99 28.05 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.237 -0.438 . . . . 65.52 110.868 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.0 m -139.99 117.73 11.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.101 -0.499 . . . . 72.35 110.96 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.3 pt -112.67 154.09 44.84 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.624 0.726 . . . . 75.45 111.139 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 125.91 12.67 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.625 2.216 . . . . 64.44 112.366 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.3 -171.55 23.99 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.822 -0.704 . . . . 73.01 112.476 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.1 ttt -100.88 -25.69 14.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.882 0.373 . . . . 72.3 110.984 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -116.88 -39.94 3.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 70.33 110.842 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -155.8 167.68 29.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.182 -0.463 . . . . 74.35 110.861 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.75 128.39 36.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 65.22 111.116 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -108.02 99.53 8.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 75.2 110.974 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.1 m -103.22 157.75 16.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.07 -0.514 . . . . 75.3 110.929 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.7 p90 -153.34 174.78 13.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 72.23 110.964 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 23.9 mmm -106.61 94.75 5.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 70.24 110.803 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.2 t0 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 75.12 110.886 179.948 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.502 -0.239 . . . . 75.25 112.502 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 33.5 mtm180 -96.16 49.52 1.14 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.847 0.356 . . . . 75.23 110.885 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -161.16 148.67 15.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 74.41 110.953 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -101.24 124.03 46.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.197 -0.456 . . . . 74.53 110.852 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -116.4 156.1 27.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 72.21 110.89 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 36.7 m -140.11 117.86 11.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 72.43 110.757 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.1 pt -113.06 154.1 45.14 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.682 0.753 . . . . 64.32 111.126 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.81 125.85 12.6 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.715 2.277 . . . . 73.03 112.281 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.33 -170.97 23.92 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.831 -0.7 . . . . 71.21 112.487 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.7 ttt -101.29 -25.49 13.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.854 0.359 . . . . 72.33 110.992 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -116.8 -39.91 3.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 72.24 110.911 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -156.15 167.72 29.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.121 -0.49 . . . . 62.4 110.828 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.75 127.25 30.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 72.21 111.101 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -106.77 99.62 9.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 75.4 110.89 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.3 m -103.1 157.68 16.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 72.55 110.866 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.3 p90 -153.29 174.78 13.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 75.32 110.826 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 10.6 mtp -106.46 94.65 5.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.016 -0.538 . . . . 53.54 110.884 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.5 t70 . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 116.283 -0.417 . . . . 74.3 110.834 179.952 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.228 0 N-CA-C 112.504 -0.238 . . . . 62.04 112.504 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.15 49.56 1.14 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.767 0.318 . . . . 72.43 110.9 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -161.34 148.71 14.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.163 -0.472 . . . . 74.53 110.909 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 47.8 ttt180 -101.11 124.25 46.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.495 . . . . 71.45 110.853 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -116.79 156.04 27.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 54.15 110.87 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 39.0 m -139.97 117.71 11.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.214 -0.448 . . . . 74.21 110.812 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 6.2 pt -112.87 154.0 45.02 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.662 0.744 . . . . 52.43 111.145 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.64 125.78 12.61 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.705 2.27 . . . . 63.31 112.383 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.49 -169.98 23.74 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.741 -0.743 . . . . 60.35 112.513 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.06 -25.64 13.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.787 0.327 . . . . 63.21 110.891 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -116.56 -39.99 3.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.269 -0.423 . . . . 75.52 110.923 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -155.83 167.69 29.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 75.51 110.887 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.97 126.74 28.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 70.1 111.159 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -105.84 99.6 9.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.284 -0.417 . . . . 75.04 110.925 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.6 m -103.04 157.64 16.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.167 -0.47 . . . . 71.33 110.878 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -153.32 174.68 14.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.214 -0.448 . . . . 75.54 110.942 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.5 mmt -106.52 94.72 5.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 55.42 110.923 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.6 t0 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 60.41 110.815 -179.946 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.211 0 N-CA-C 112.505 -0.238 . . . . 52.45 112.505 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 68.0 mtm180 -96.29 49.49 1.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.844 0.354 . . . . 73.23 110.866 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -161.25 148.73 15.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 64.33 110.889 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.1 ttt180 -101.26 123.86 46.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.084 -0.507 . . . . 71.23 110.88 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.4 mtp180 -116.33 156.14 27.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.299 -0.409 . . . . 74.1 110.897 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 39.8 m -140.13 117.74 11.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.484 . . . . 72.25 110.889 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.7 pt -112.9 154.15 45.0 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.657 0.741 . . . . 75.13 111.067 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 125.75 12.5 Favored 'Trans proline' 0 N--CA 1.464 -0.215 0 C-N-CA 122.777 2.318 . . . . 72.32 112.372 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.48 -169.47 23.73 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.739 . . . . 61.25 112.512 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -102.38 -25.47 13.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.806 0.336 . . . . 71.03 110.92 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -117.09 -39.8 3.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 75.22 110.93 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -155.67 167.69 29.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 70.11 110.861 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.05 126.47 27.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 72.03 111.04 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -105.4 99.65 9.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 71.41 110.896 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.2 m -103.1 157.61 16.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 71.23 110.905 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.1 p90 -153.36 174.8 13.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 74.12 110.946 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 9.2 mmm -106.59 94.73 5.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.109 -0.496 . . . . 73.14 110.859 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.9 t0 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 74.04 110.91 179.93 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.509 -0.237 . . . . 53.31 112.509 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -96.16 49.57 1.14 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.863 0.363 . . . . 74.53 110.952 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -161.39 148.7 14.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.44 . . . . 72.14 110.908 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -101.17 124.26 46.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 74.14 110.935 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -116.88 156.16 27.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 74.01 110.909 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 38.2 m -140.09 117.8 11.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 55.54 110.805 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.3 pt -112.93 154.15 45.02 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.607 0.718 . . . . 55.32 111.174 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 125.96 12.73 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.665 2.243 . . . . 74.41 112.366 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.77 -168.87 23.44 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.707 -0.759 . . . . 63.25 112.487 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.78 -25.33 13.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.756 0.313 . . . . 72.44 110.85 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -116.91 -39.86 3.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.318 -0.401 . . . . 74.45 110.781 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -155.98 167.69 29.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.298 -0.41 . . . . 74.42 110.9 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.13 125.7 24.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 50.23 111.156 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -104.5 99.59 9.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 74.53 110.884 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.1 m -102.77 157.68 16.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.075 -0.511 . . . . 61.05 110.961 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.6 p90 -153.34 174.62 14.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.149 -0.478 . . . . 64.22 111.013 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 29.7 mtp -106.35 94.75 5.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 64.32 110.968 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.3 t70 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 72.04 110.865 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.612 -0.195 . . . . 63.11 112.612 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 54.7 mtt180 -96.53 49.31 1.1 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.799 0.333 . . . . 71.3 110.819 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -161.55 148.4 14.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 75.43 110.946 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.3 ttm-85 -102.08 124.35 47.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 75.43 110.94 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.6 mtm180 -117.29 157.21 26.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 74.33 110.897 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 47.5 m -139.98 117.81 11.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 71.42 110.918 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.6 pt -111.95 154.11 44.29 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.557 0.694 . . . . 74.41 111.076 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.85 125.95 12.69 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.642 2.228 . . . . 72.53 112.343 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.68 -173.97 23.0 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.713 -0.756 . . . . 72.23 112.482 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.4 tpp -99.51 -25.36 14.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.754 0.311 . . . . 74.11 110.862 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -115.18 -40.04 3.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.298 -0.41 . . . . 73.11 110.87 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.05 167.58 29.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 75.52 110.833 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.13 126.73 28.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 64.3 111.01 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -106.46 99.74 9.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 70.41 110.911 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.0 m -102.84 157.58 16.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.1 -0.5 . . . . 73.43 110.826 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 26.9 p90 -153.37 174.55 14.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 74.52 110.946 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 43.2 mtp -107.13 94.87 5.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.097 -0.502 . . . . 73.52 110.894 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.2 t70 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 72.4 110.917 179.936 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.436 0 N-CA-C 112.427 -0.269 . . . . 53.51 112.427 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 24.4 mtt180 -98.48 45.38 1.01 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.844 0.354 . . . . 75.44 110.861 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -160.77 149.0 16.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 72.12 110.917 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.0 ttt85 -101.97 121.06 41.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 75.43 110.919 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -110.34 159.28 17.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 65.21 110.854 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 45.7 m -140.1 117.72 11.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 74.31 110.981 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 17.0 pt -112.18 154.08 44.47 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.613 0.72 . . . . 73.12 111.143 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.68 125.87 12.7 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.693 2.262 . . . . 52.21 112.319 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.85 -171.76 24.43 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.856 -0.687 . . . . 74.2 112.548 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -100.68 -25.7 14.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.937 0.399 . . . . 75.31 110.978 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -117.17 -39.87 3.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 72.13 110.914 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.7 ptt85 -155.62 167.7 29.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 63.42 110.903 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.35 130.87 48.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 62.03 111.171 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -111.27 99.73 8.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 72.1 110.865 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.6 m -102.89 157.69 16.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 75.2 110.822 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -153.24 174.9 13.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.071 -0.513 . . . . 74.22 110.996 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.4 mmt -105.4 94.77 5.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 61.3 110.908 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.1 t70 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 45.4 110.789 -179.895 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.453 -0.259 . . . . 74.05 112.453 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.77 49.27 1.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 72.41 110.929 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -161.17 148.52 15.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 73.21 110.902 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -101.11 124.06 46.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 71.51 110.915 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -116.37 156.11 27.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.162 -0.472 . . . . 71.32 110.942 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 38.7 m -140.04 117.65 11.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.437 . . . . 73.25 110.886 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.0 pt -112.9 154.04 45.03 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.607 0.717 . . . . 71.21 111.234 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 125.87 12.7 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.783 2.322 . . . . 72.44 112.328 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.62 -170.0 23.62 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.606 -0.807 . . . . 64.33 112.477 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -101.97 -25.69 13.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.892 0.377 . . . . 74.42 110.962 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -116.56 -39.9 3.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 62.24 110.872 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.3 ptt-85 -156.06 167.84 29.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 63.3 110.821 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.93 126.84 28.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 74.1 111.096 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -105.94 99.61 9.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 54.32 110.941 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.4 m -103.16 157.78 16.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 71.21 110.859 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.5 p90 -153.33 174.65 14.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 71.3 110.831 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 10.7 mtp -106.36 94.73 5.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.04 -0.527 . . . . 73.41 110.911 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.5 t0 . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.371 -0.377 . . . . 75.04 110.792 -179.939 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.422 -0.271 . . . . 32.22 112.422 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 35.3 mtm-85 -101.22 44.02 1.03 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.903 0.382 . . . . 73.25 110.902 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -160.51 149.5 17.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 74.23 110.958 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -100.97 116.69 33.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.081 -0.509 . . . . 64.35 110.903 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 44.6 mtp85 -105.65 162.13 13.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 75.15 110.804 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 52.1 m -140.09 117.71 11.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 74.32 110.946 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 6.5 pt -111.47 154.13 43.91 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.596 0.713 . . . . 75.25 111.153 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 125.75 12.51 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.727 2.284 . . . . 75.13 112.314 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.85 -170.65 24.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.689 -0.767 . . . . 72.04 112.453 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.4 ttt -101.19 -25.34 14.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.712 0.291 . . . . 71.14 110.891 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -117.53 -39.9 3.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.272 -0.422 . . . . 62.31 110.866 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.9 ptt180 -155.97 167.8 29.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 73.02 110.824 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.1 131.09 49.44 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.079 -0.51 . . . . 74.51 111.107 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -111.56 99.74 8.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 72.55 110.922 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 59.6 m -102.2 156.45 17.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.084 -0.507 . . . . 73.41 110.836 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 38.1 p90 -153.56 174.72 14.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 73.22 110.972 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 7.5 mmt -101.91 93.08 5.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 74.03 110.948 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.9 t70 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.327 -0.397 . . . . 74.04 110.916 179.98 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.5 -0.24 . . . . 73.32 112.5 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.7 mtt85 -101.87 43.68 1.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.762 0.315 . . . . 72.52 110.94 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -160.59 149.44 16.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 64.31 110.877 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -100.22 116.26 31.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 74.23 110.956 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 44.4 mtt-85 -106.0 162.89 13.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.297 -0.411 . . . . 55.33 110.829 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 53.6 m -140.01 117.91 11.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 61.43 110.932 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.5 pt -111.13 154.03 43.69 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.546 0.689 . . . . 63.31 111.136 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 125.77 12.57 Favored 'Trans proline' 0 N--CA 1.467 -0.082 0 C-N-CA 122.665 2.243 . . . . 75.12 112.369 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.16 -168.9 24.01 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.753 -0.737 . . . . 62.24 112.475 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.18 -26.53 13.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.922 0.391 . . . . 60.1 110.949 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -116.36 -39.85 3.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.484 . . . . 71.3 110.898 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -156.09 167.81 29.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 74.42 110.895 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.12 130.79 48.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.253 -0.43 . . . . 75.42 111.021 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -110.78 99.58 8.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 73.25 110.936 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.7 m -101.68 155.86 17.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 72.42 110.863 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 36.1 p90 -153.61 174.72 14.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 64.33 110.846 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 6.9 mtp -100.72 92.82 5.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 73.23 110.83 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.5 t70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 73.01 110.821 179.888 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.165 0 N-CA-C 112.446 -0.261 . . . . 51.34 112.446 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 15.8 mtp180 -96.09 49.72 1.15 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.867 0.365 . . . . 71.35 110.83 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -161.41 148.8 14.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 73.45 110.842 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.26 124.04 46.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.013 -0.54 . . . . 75.43 110.854 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -116.64 156.14 27.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 64.4 110.855 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 39.8 m -140.04 117.72 11.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 71.31 110.832 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.2 pt -112.58 154.25 44.73 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.585 0.707 . . . . 73.45 111.09 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -69.93 125.99 12.69 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.606 2.204 . . . . 55.24 112.272 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.99 -165.19 22.26 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.811 -0.709 . . . . 60.51 112.484 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.9 -34.73 7.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.682 0.277 . . . . 61.01 110.831 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -107.18 -41.23 5.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.378 -0.373 . . . . 74.35 110.935 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.61 167.76 29.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 73.53 110.915 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.77 128.86 38.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 64.41 111.118 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -106.75 99.63 9.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 72.44 110.862 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.3 m -103.18 157.63 16.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.078 -0.51 . . . . 72.42 110.906 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -153.17 174.75 13.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 72.54 110.943 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.6 mmt -106.55 94.66 5.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 72.22 110.936 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.8 t70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 64.02 110.845 -179.985 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 N-CA-C 112.509 -0.236 . . . . 63.42 112.509 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 26.3 mtt-85 -100.55 43.62 1.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.784 0.326 . . . . 72.2 110.819 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -160.26 149.05 17.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.28 -0.418 . . . . 62.43 110.991 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -102.81 120.83 41.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 75.3 110.884 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.8 mmm-85 -110.79 163.94 13.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.153 -0.476 . . . . 71.53 110.963 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 52.8 m -140.04 117.81 11.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.29 -0.414 . . . . 73.21 110.91 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 15.4 pt -111.34 154.11 43.82 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.581 0.705 . . . . 61.53 111.076 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 125.81 12.57 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.698 2.266 . . . . 74.52 112.302 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.02 -168.46 24.13 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.713 -0.756 . . . . 72.32 112.561 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -102.47 -25.51 13.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.828 0.347 . . . . 70.55 110.807 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -117.43 -39.86 3.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.26 -0.427 . . . . 73.32 110.856 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -155.89 167.76 29.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 64.51 110.898 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.93 130.42 46.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 42.12 111.062 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -110.49 99.63 8.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 71.2 111.018 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.9 m -101.47 156.14 17.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 62.03 110.873 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.0 p90 -153.5 174.72 14.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 75.44 110.861 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 18.8 mtt -104.44 94.71 5.48 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.111 -0.495 . . . . 72.11 110.913 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.0 t70 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.472 . . . . 34.42 110.815 -179.946 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.468 -0.253 . . . . 55.05 112.468 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -101.91 43.86 1.04 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.893 0.378 . . . . 64.05 110.979 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -160.45 149.54 17.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 71.12 110.873 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -99.92 116.8 32.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 60.21 110.916 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 44.0 mtt-85 -107.39 163.23 13.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 72.33 110.859 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.6 m -139.86 117.81 11.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 61.42 110.917 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.2 pt -109.8 154.25 42.63 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.724 0.773 . . . . 73.34 111.119 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.74 125.84 12.63 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.675 2.25 . . . . 64.11 112.323 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.71 -174.11 26.88 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.786 -0.721 . . . . 74.33 112.474 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.15 -25.62 14.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.737 0.303 . . . . 75.42 110.779 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -120.66 -39.71 2.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 74.12 110.812 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.47 167.83 27.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 75.14 110.858 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.59 139.85 58.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 54.23 111.1 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -122.07 99.64 6.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 74.23 110.891 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.3 m -102.6 155.71 18.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 73.43 110.863 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -153.58 174.79 14.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 74.12 110.896 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 32.2 mtp -99.97 92.44 5.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 64.33 110.849 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.6 t70 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 74.51 110.887 179.924 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.485 -0.246 . . . . 73.05 112.485 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -100.97 43.79 1.04 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.789 0.328 . . . . 73.54 110.87 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -160.29 149.61 17.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 71.3 110.877 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.4 ttt180 -101.73 117.64 35.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.505 . . . . 74.5 110.84 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.8 mtt-85 -106.83 161.78 14.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 73.02 110.902 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 51.1 m -140.04 117.82 11.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 63.12 110.862 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.8 pt -111.63 154.08 44.05 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.667 0.746 . . . . 73.23 111.074 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 125.86 12.63 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.729 2.286 . . . . 74.3 112.306 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.84 -170.48 24.36 Favored Glycine 0 C--N 1.332 0.342 0 C-N-CA 120.625 -0.797 . . . . 75.44 112.45 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -101.21 -25.76 13.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.904 0.383 . . . . 73.3 110.954 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -117.34 -39.81 3.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.873 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -155.67 167.86 29.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.465 . . . . 72.12 110.877 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.28 131.45 50.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 62.34 111.102 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -111.85 99.58 8.23 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.209 -0.451 . . . . 75.04 110.881 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 59.5 m -102.1 156.72 17.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 75.13 110.964 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -153.48 174.74 14.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.236 -0.438 . . . . 73.51 110.977 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 15.9 mtt -102.96 93.51 5.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 64.35 110.887 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.3 t70 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 74.52 110.889 -179.973 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.544 -0.223 . . . . 63.31 112.544 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -101.47 43.84 1.04 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.866 0.365 . . . . 72.31 110.883 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -160.47 149.52 17.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 71.41 110.982 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -100.75 116.71 33.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.106 -0.497 . . . . 71.31 110.94 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 44.8 mtp85 -106.09 162.26 13.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 54.03 110.88 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 53.4 m -140.07 117.82 11.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 74.5 110.964 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.2 pt -110.99 154.16 43.54 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.613 0.72 . . . . 73.34 111.148 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 125.84 12.59 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.642 2.228 . . . . 60.14 112.424 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.88 -172.71 25.49 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.746 -0.74 . . . . 61.42 112.438 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.2 ttt -99.58 -25.66 14.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.839 0.352 . . . . 74.23 110.935 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -118.68 -39.75 2.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 71.43 110.886 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.36 167.8 28.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.085 -0.507 . . . . 75.33 110.834 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.36 135.12 57.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 74.14 111.178 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -116.42 99.69 7.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.425 . . . . 74.34 110.935 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 59.3 m -102.6 156.36 17.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 62.41 110.869 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 37.0 p90 -153.48 174.75 14.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 60.13 110.945 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 26.0 mtt -101.81 93.01 5.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.437 . . . . 75.45 110.93 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.8 t0 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 74.0 110.985 179.953 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.429 -0.268 . . . . 71.33 112.429 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 -96.27 49.55 1.13 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.85 0.357 . . . . 75.33 110.846 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -161.56 148.41 14.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 72.3 110.904 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -102.29 124.52 48.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 73.42 110.873 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -117.5 157.12 26.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 72.21 110.902 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 45.5 m -140.06 117.79 11.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 31.31 110.847 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.1 pt -112.01 154.09 44.34 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.66 0.743 . . . . 74.32 111.126 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.76 125.88 12.66 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 122.683 2.255 . . . . 75.21 112.326 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.41 -171.58 23.9 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.643 -0.789 . . . . 71.03 112.527 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.98 -25.48 14.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.747 0.308 . . . . 63.54 110.731 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -117.02 -39.84 3.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.375 -0.375 . . . . 74.41 110.88 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -155.82 167.79 29.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 73.3 110.878 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.01 128.31 35.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 73.45 111.128 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -107.78 99.66 9.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 60.45 110.893 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.1 m -103.07 157.68 16.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 71.42 110.837 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -153.43 174.54 14.24 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.127 -0.488 . . . . 73.22 110.917 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.3 mmm -107.01 94.78 5.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.023 -0.535 . . . . 62.34 110.899 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.6 t70 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.443 . . . . 71.34 110.901 179.946 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.478 -0.249 . . . . 34.21 112.478 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 17.3 mtt85 -96.26 49.4 1.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.77 0.319 . . . . 73.12 110.846 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -161.56 148.51 14.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 72.15 110.858 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.7 ttt180 -102.27 124.49 47.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.016 -0.538 . . . . 73.33 110.894 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 -117.4 157.24 26.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 73.44 110.862 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 46.3 m -140.04 117.73 11.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 53.42 110.938 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.5 pt -112.08 154.13 44.38 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.583 0.706 . . . . 64.24 111.168 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.83 125.86 12.59 Favored 'Trans proline' 0 N--CA 1.466 -0.141 0 C-N-CA 122.631 2.221 . . . . 70.42 112.424 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.21 -171.67 24.09 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.721 -0.752 . . . . 70.4 112.506 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.88 -25.46 14.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.801 0.334 . . . . 65.14 110.823 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -117.1 -39.72 3.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 74.31 110.878 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -156.02 167.74 29.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 70.24 110.82 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.75 128.9 38.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 45.34 111.007 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -108.6 99.52 8.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 75.34 111.011 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.8 m -102.93 157.66 16.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.123 -0.489 . . . . 71.41 110.875 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 28.2 p90 -153.35 174.51 14.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.115 -0.493 . . . . 63.3 110.916 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 34.2 mtt -106.96 94.95 5.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 74.54 110.841 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.0 t0 . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.253 -0.43 . . . . 62.55 110.879 179.934 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.574 -0.21 . . . . 54.42 112.574 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -96.44 49.46 1.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.834 0.349 . . . . 64.24 110.781 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -161.55 148.47 14.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 74.04 110.87 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -102.27 124.65 48.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.1 -0.5 . . . . 73.2 110.944 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.6 mtm180 -117.86 157.29 26.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 63.33 110.768 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 45.6 m -140.03 117.84 11.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.053 -0.521 . . . . 72.22 110.821 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.2 pt -112.18 154.15 44.45 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.68 0.752 . . . . 65.43 111.121 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.76 125.94 12.73 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.669 2.246 . . . . 72.12 112.332 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.75 -170.27 23.51 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.723 -0.751 . . . . 70.13 112.562 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.76 -25.6 13.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.782 0.325 . . . . 64.12 110.933 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -116.79 -39.81 3.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 75.21 110.79 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -156.0 167.61 29.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 74.34 110.893 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.07 127.09 29.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 54.25 111.062 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -105.98 99.62 9.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 70.21 110.865 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.1 m -102.81 157.61 16.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 65.25 110.805 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.6 p90 -153.41 174.62 14.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.092 -0.504 . . . . 74.03 110.934 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.3 mmt -107.26 95.01 5.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 63.35 110.779 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.1 t70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 73.33 110.895 179.893 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.55 -0.22 . . . . 74.42 112.55 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 42.7 mtt-85 -95.99 49.41 1.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.742 0.306 . . . . 75.53 110.804 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -161.43 148.54 14.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 54.33 110.889 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -102.39 124.61 48.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.099 -0.5 . . . . 53.31 110.88 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 -117.67 157.29 26.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 75.23 110.854 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 44.7 m -139.94 117.83 11.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 73.53 110.949 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.7 pt -112.32 154.11 44.57 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.703 0.764 . . . . 65.43 111.042 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.69 125.89 12.71 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.704 2.269 . . . . 64.14 112.306 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.59 -170.77 23.68 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.758 -0.734 . . . . 75.24 112.494 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.4 ttm -101.41 -25.68 13.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.746 0.308 . . . . 73.33 110.869 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -116.46 -39.89 3.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 74.44 110.916 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.5 ptt180 -156.37 167.74 29.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.113 -0.494 . . . . 53.42 110.806 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.63 127.55 32.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 72.51 111.136 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -106.98 99.54 9.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 73.32 110.919 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.8 m -102.7 157.63 16.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 75.52 110.924 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 32.3 p90 -153.3 174.57 14.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 72.44 110.855 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 6.7 mtt -106.99 94.87 5.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.083 -0.508 . . . . 72.14 110.98 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.3 t0 . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 116.276 -0.42 . . . . 63.34 110.859 -180.0 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.434 0 N-CA-C 112.459 -0.256 . . . . 51.15 112.459 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.26 49.48 1.13 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.818 0.342 . . . . 72.2 110.908 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -161.59 148.5 14.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.085 -0.507 . . . . 55.22 110.962 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -102.23 124.55 48.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 74.2 110.941 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.2 mtm180 -117.63 157.36 26.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 75.24 110.868 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.8 m -140.04 117.79 11.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 65.03 110.832 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.6 pt -112.36 154.11 44.6 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.628 0.728 . . . . 75.53 111.097 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 125.89 12.67 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.733 2.289 . . . . 74.12 112.272 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.97 -169.71 23.29 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.801 -0.714 . . . . 72.34 112.474 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.2 ttt -102.07 -25.62 13.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.795 0.331 . . . . 73.01 110.963 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -116.44 -39.83 3.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 75.54 110.817 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.9 ptt-85 -156.46 167.64 29.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 74.11 110.811 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.82 126.19 26.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 70.22 111.156 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -105.12 99.69 9.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 75.23 110.863 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.2 m -102.67 157.59 16.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 62.14 110.815 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 27.7 p90 -153.33 174.48 14.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 75.3 110.943 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 35.0 mtt -106.91 94.85 5.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 55.21 110.894 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.2 t0 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 64.23 110.888 -179.97 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.46 -0.256 . . . . 54.41 112.46 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -96.01 49.7 1.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.834 0.349 . . . . 63.24 110.875 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -161.27 148.71 15.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.479 . . . . 75.41 110.95 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -101.15 124.29 46.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 74.22 110.877 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.4 mtp180 -116.83 155.99 28.05 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.237 -0.438 . . . . 65.52 110.868 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.0 m -139.99 117.73 11.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.101 -0.499 . . . . 72.35 110.96 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.3 pt -112.67 154.09 44.84 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.624 0.726 . . . . 75.45 111.139 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 125.91 12.67 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.625 2.216 . . . . 64.44 112.366 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.3 -171.55 23.99 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.822 -0.704 . . . . 73.01 112.476 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.1 ttt -100.88 -25.69 14.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.882 0.373 . . . . 72.3 110.984 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -116.88 -39.94 3.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 70.33 110.842 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -155.8 167.68 29.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.182 -0.463 . . . . 74.35 110.861 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.75 128.39 36.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 65.22 111.116 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -108.02 99.53 8.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 75.2 110.974 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.1 m -103.22 157.75 16.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.07 -0.514 . . . . 75.3 110.929 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.7 p90 -153.34 174.78 13.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 72.23 110.964 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 23.9 mmm -106.61 94.75 5.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 70.24 110.803 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.2 t0 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 75.12 110.886 179.948 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.502 -0.239 . . . . 75.25 112.502 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 33.5 mtm180 -96.16 49.52 1.14 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.847 0.356 . . . . 75.23 110.885 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -161.16 148.67 15.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 74.41 110.953 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -101.24 124.03 46.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.197 -0.456 . . . . 74.53 110.852 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -116.4 156.1 27.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 72.21 110.89 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 36.7 m -140.11 117.86 11.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 72.43 110.757 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.1 pt -113.06 154.1 45.14 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.682 0.753 . . . . 64.32 111.126 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.81 125.85 12.6 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.715 2.277 . . . . 73.03 112.281 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.33 -170.97 23.92 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.831 -0.7 . . . . 71.21 112.487 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.7 ttt -101.29 -25.49 13.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.854 0.359 . . . . 72.33 110.992 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -116.8 -39.91 3.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 72.24 110.911 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -156.15 167.72 29.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.121 -0.49 . . . . 62.4 110.828 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.75 127.25 30.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 72.21 111.101 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -106.77 99.62 9.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 75.4 110.89 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.3 m -103.1 157.68 16.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 72.55 110.866 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.3 p90 -153.29 174.78 13.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 75.32 110.826 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 10.6 mtp -106.46 94.65 5.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.016 -0.538 . . . . 53.54 110.884 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.5 t70 . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 116.283 -0.417 . . . . 74.3 110.834 179.952 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.228 0 N-CA-C 112.504 -0.238 . . . . 62.04 112.504 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.15 49.56 1.14 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.767 0.318 . . . . 72.43 110.9 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -161.34 148.71 14.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.163 -0.472 . . . . 74.53 110.909 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 47.8 ttt180 -101.11 124.25 46.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.495 . . . . 71.45 110.853 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -116.79 156.04 27.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 54.15 110.87 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 39.0 m -139.97 117.71 11.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.214 -0.448 . . . . 74.21 110.812 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 6.2 pt -112.87 154.0 45.02 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.662 0.744 . . . . 52.43 111.145 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.64 125.78 12.61 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.705 2.27 . . . . 63.31 112.383 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.49 -169.98 23.74 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.741 -0.743 . . . . 60.35 112.513 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.06 -25.64 13.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.787 0.327 . . . . 63.21 110.891 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -116.56 -39.99 3.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.269 -0.423 . . . . 75.52 110.923 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -155.83 167.69 29.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 75.51 110.887 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.97 126.74 28.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 70.1 111.159 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -105.84 99.6 9.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.284 -0.417 . . . . 75.04 110.925 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.6 m -103.04 157.64 16.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.167 -0.47 . . . . 71.33 110.878 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -153.32 174.68 14.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.214 -0.448 . . . . 75.54 110.942 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.5 mmt -106.52 94.72 5.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 55.42 110.923 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.6 t0 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 60.41 110.815 -179.946 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.211 0 N-CA-C 112.505 -0.238 . . . . 52.45 112.505 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 68.0 mtm180 -96.29 49.49 1.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.844 0.354 . . . . 73.23 110.866 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -161.25 148.73 15.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 64.33 110.889 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.1 ttt180 -101.26 123.86 46.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.084 -0.507 . . . . 71.23 110.88 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.4 mtp180 -116.33 156.14 27.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.299 -0.409 . . . . 74.1 110.897 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 39.8 m -140.13 117.74 11.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.484 . . . . 72.25 110.889 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.7 pt -112.9 154.15 45.0 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.657 0.741 . . . . 75.13 111.067 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 125.75 12.5 Favored 'Trans proline' 0 N--CA 1.464 -0.215 0 C-N-CA 122.777 2.318 . . . . 72.32 112.372 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.48 -169.47 23.73 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.739 . . . . 61.25 112.512 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -102.38 -25.47 13.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.806 0.336 . . . . 71.03 110.92 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -117.09 -39.8 3.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 75.22 110.93 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -155.67 167.69 29.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 70.11 110.861 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.05 126.47 27.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 72.03 111.04 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -105.4 99.65 9.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 71.41 110.896 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.2 m -103.1 157.61 16.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 71.23 110.905 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.1 p90 -153.36 174.8 13.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 74.12 110.946 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 9.2 mmm -106.59 94.73 5.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.109 -0.496 . . . . 73.14 110.859 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.9 t0 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 74.04 110.91 179.93 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.509 -0.237 . . . . 53.31 112.509 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -96.16 49.57 1.14 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.863 0.363 . . . . 74.53 110.952 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -161.39 148.7 14.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.44 . . . . 72.14 110.908 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -101.17 124.26 46.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 74.14 110.935 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -116.88 156.16 27.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 74.01 110.909 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 38.2 m -140.09 117.8 11.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 55.54 110.805 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.3 pt -112.93 154.15 45.02 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.607 0.718 . . . . 55.32 111.174 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 125.96 12.73 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.665 2.243 . . . . 74.41 112.366 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.77 -168.87 23.44 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.707 -0.759 . . . . 63.25 112.487 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.78 -25.33 13.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.756 0.313 . . . . 72.44 110.85 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -116.91 -39.86 3.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.318 -0.401 . . . . 74.45 110.781 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -155.98 167.69 29.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.298 -0.41 . . . . 74.42 110.9 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.13 125.7 24.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 50.23 111.156 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -104.5 99.59 9.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 74.53 110.884 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.1 m -102.77 157.68 16.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.075 -0.511 . . . . 61.05 110.961 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.6 p90 -153.34 174.62 14.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.149 -0.478 . . . . 64.22 111.013 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 29.7 mtp -106.35 94.75 5.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 64.32 110.968 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.3 t70 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 72.04 110.865 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.612 -0.195 . . . . 63.11 112.612 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 54.7 mtt180 -96.53 49.31 1.1 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.799 0.333 . . . . 71.3 110.819 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -161.55 148.4 14.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 75.43 110.946 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.3 ttm-85 -102.08 124.35 47.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 75.43 110.94 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.6 mtm180 -117.29 157.21 26.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 74.33 110.897 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 47.5 m -139.98 117.81 11.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 71.42 110.918 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.6 pt -111.95 154.11 44.29 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.557 0.694 . . . . 74.41 111.076 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.85 125.95 12.69 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.642 2.228 . . . . 72.53 112.343 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.68 -173.97 23.0 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.713 -0.756 . . . . 72.23 112.482 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.4 tpp -99.51 -25.36 14.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.754 0.311 . . . . 74.11 110.862 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -115.18 -40.04 3.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.298 -0.41 . . . . 73.11 110.87 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.05 167.58 29.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 75.52 110.833 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.13 126.73 28.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 64.3 111.01 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -106.46 99.74 9.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 70.41 110.911 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.0 m -102.84 157.58 16.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.1 -0.5 . . . . 73.43 110.826 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 26.9 p90 -153.37 174.55 14.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 74.52 110.946 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 43.2 mtp -107.13 94.87 5.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.097 -0.502 . . . . 73.52 110.894 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.2 t70 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 72.4 110.917 179.936 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.436 0 N-CA-C 112.427 -0.269 . . . . 53.51 112.427 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 24.4 mtt180 -98.48 45.38 1.01 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.844 0.354 . . . . 75.44 110.861 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -160.77 149.0 16.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 72.12 110.917 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.0 ttt85 -101.97 121.06 41.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 75.43 110.919 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -110.34 159.28 17.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 65.21 110.854 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 45.7 m -140.1 117.72 11.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 74.31 110.981 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 17.0 pt -112.18 154.08 44.47 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.613 0.72 . . . . 73.12 111.143 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.68 125.87 12.7 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.693 2.262 . . . . 52.21 112.319 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.85 -171.76 24.43 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.856 -0.687 . . . . 74.2 112.548 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -100.68 -25.7 14.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.937 0.399 . . . . 75.31 110.978 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -117.17 -39.87 3.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 72.13 110.914 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.7 ptt85 -155.62 167.7 29.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 63.42 110.903 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.35 130.87 48.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 62.03 111.171 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -111.27 99.73 8.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 72.1 110.865 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.6 m -102.89 157.69 16.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 75.2 110.822 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -153.24 174.9 13.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.071 -0.513 . . . . 74.22 110.996 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.4 mmt -105.4 94.77 5.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 61.3 110.908 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.1 t70 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 45.4 110.789 -179.895 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.453 -0.259 . . . . 74.05 112.453 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.77 49.27 1.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 72.41 110.929 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -161.17 148.52 15.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 73.21 110.902 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -101.11 124.06 46.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 71.51 110.915 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -116.37 156.11 27.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.162 -0.472 . . . . 71.32 110.942 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 38.7 m -140.04 117.65 11.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.437 . . . . 73.25 110.886 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.0 pt -112.9 154.04 45.03 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.607 0.717 . . . . 71.21 111.234 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 125.87 12.7 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.783 2.322 . . . . 72.44 112.328 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.62 -170.0 23.62 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.606 -0.807 . . . . 64.33 112.477 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -101.97 -25.69 13.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.892 0.377 . . . . 74.42 110.962 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -116.56 -39.9 3.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 62.24 110.872 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.3 ptt-85 -156.06 167.84 29.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 63.3 110.821 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.93 126.84 28.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 74.1 111.096 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -105.94 99.61 9.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 54.32 110.941 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.4 m -103.16 157.78 16.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 71.21 110.859 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.5 p90 -153.33 174.65 14.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 71.3 110.831 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 10.7 mtp -106.36 94.73 5.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.04 -0.527 . . . . 73.41 110.911 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.5 t0 . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.371 -0.377 . . . . 75.04 110.792 -179.939 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.422 -0.271 . . . . 32.22 112.422 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 35.3 mtm-85 -101.22 44.02 1.03 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.903 0.382 . . . . 73.25 110.902 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -160.51 149.5 17.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 74.23 110.958 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -100.97 116.69 33.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.081 -0.509 . . . . 64.35 110.903 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 44.6 mtp85 -105.65 162.13 13.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 75.15 110.804 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 52.1 m -140.09 117.71 11.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 74.32 110.946 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 6.5 pt -111.47 154.13 43.91 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.596 0.713 . . . . 75.25 111.153 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 125.75 12.51 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.727 2.284 . . . . 75.13 112.314 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.85 -170.65 24.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.689 -0.767 . . . . 72.04 112.453 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.4 ttt -101.19 -25.34 14.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.712 0.291 . . . . 71.14 110.891 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -117.53 -39.9 3.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.272 -0.422 . . . . 62.31 110.866 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.9 ptt180 -155.97 167.8 29.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 73.02 110.824 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.1 131.09 49.44 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.079 -0.51 . . . . 74.51 111.107 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -111.56 99.74 8.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 72.55 110.922 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 59.6 m -102.2 156.45 17.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.084 -0.507 . . . . 73.41 110.836 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 38.1 p90 -153.56 174.72 14.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 73.22 110.972 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 7.5 mmt -101.91 93.08 5.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 74.03 110.948 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.9 t70 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.327 -0.397 . . . . 74.04 110.916 179.98 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.5 -0.24 . . . . 73.32 112.5 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.7 mtt85 -101.87 43.68 1.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.762 0.315 . . . . 72.52 110.94 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -160.59 149.44 16.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 64.31 110.877 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -100.22 116.26 31.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 74.23 110.956 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 44.4 mtt-85 -106.0 162.89 13.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.297 -0.411 . . . . 55.33 110.829 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 53.6 m -140.01 117.91 11.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 61.43 110.932 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.5 pt -111.13 154.03 43.69 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.546 0.689 . . . . 63.31 111.136 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 125.77 12.57 Favored 'Trans proline' 0 N--CA 1.467 -0.082 0 C-N-CA 122.665 2.243 . . . . 75.12 112.369 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.16 -168.9 24.01 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.753 -0.737 . . . . 62.24 112.475 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.18 -26.53 13.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.922 0.391 . . . . 60.1 110.949 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -116.36 -39.85 3.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.484 . . . . 71.3 110.898 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -156.09 167.81 29.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 74.42 110.895 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.12 130.79 48.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.253 -0.43 . . . . 75.42 111.021 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -110.78 99.58 8.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 73.25 110.936 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.7 m -101.68 155.86 17.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 72.42 110.863 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 36.1 p90 -153.61 174.72 14.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 64.33 110.846 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 6.9 mtp -100.72 92.82 5.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 73.23 110.83 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.5 t70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 73.01 110.821 179.888 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.165 0 N-CA-C 112.446 -0.261 . . . . 51.34 112.446 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 15.8 mtp180 -96.09 49.72 1.15 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.867 0.365 . . . . 71.35 110.83 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -161.41 148.8 14.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 73.45 110.842 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.26 124.04 46.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.013 -0.54 . . . . 75.43 110.854 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -116.64 156.14 27.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 64.4 110.855 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 39.8 m -140.04 117.72 11.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 71.31 110.832 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.2 pt -112.58 154.25 44.73 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.585 0.707 . . . . 73.45 111.09 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -69.93 125.99 12.69 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.606 2.204 . . . . 55.24 112.272 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.99 -165.19 22.26 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.811 -0.709 . . . . 60.51 112.484 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.9 -34.73 7.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.682 0.277 . . . . 61.01 110.831 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -107.18 -41.23 5.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.378 -0.373 . . . . 74.35 110.935 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.61 167.76 29.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 73.53 110.915 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.77 128.86 38.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 64.41 111.118 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -106.75 99.63 9.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 72.44 110.862 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.3 m -103.18 157.63 16.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.078 -0.51 . . . . 72.42 110.906 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -153.17 174.75 13.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 72.54 110.943 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.6 mmt -106.55 94.66 5.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 72.22 110.936 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.8 t70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 64.02 110.845 -179.985 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 N-CA-C 112.509 -0.236 . . . . 63.42 112.509 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 26.3 mtt-85 -100.55 43.62 1.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.784 0.326 . . . . 72.2 110.819 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -160.26 149.05 17.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.28 -0.418 . . . . 62.43 110.991 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -102.81 120.83 41.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 75.3 110.884 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.8 mmm-85 -110.79 163.94 13.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.153 -0.476 . . . . 71.53 110.963 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 52.8 m -140.04 117.81 11.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.29 -0.414 . . . . 73.21 110.91 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 15.4 pt -111.34 154.11 43.82 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.581 0.705 . . . . 61.53 111.076 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 125.81 12.57 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.698 2.266 . . . . 74.52 112.302 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.02 -168.46 24.13 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.713 -0.756 . . . . 72.32 112.561 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -102.47 -25.51 13.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.828 0.347 . . . . 70.55 110.807 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -117.43 -39.86 3.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.26 -0.427 . . . . 73.32 110.856 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -155.89 167.76 29.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 64.51 110.898 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.93 130.42 46.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 42.12 111.062 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -110.49 99.63 8.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 71.2 111.018 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.9 m -101.47 156.14 17.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 62.03 110.873 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.0 p90 -153.5 174.72 14.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 75.44 110.861 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 18.8 mtt -104.44 94.71 5.48 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.111 -0.495 . . . . 72.11 110.913 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.0 t70 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.472 . . . . 34.42 110.815 -179.946 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.468 -0.253 . . . . 55.05 112.468 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -101.91 43.86 1.04 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.893 0.378 . . . . 64.05 110.979 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -160.45 149.54 17.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 71.12 110.873 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -99.92 116.8 32.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 60.21 110.916 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 44.0 mtt-85 -107.39 163.23 13.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 72.33 110.859 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.6 m -139.86 117.81 11.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 61.42 110.917 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.2 pt -109.8 154.25 42.63 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.724 0.773 . . . . 73.34 111.119 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.74 125.84 12.63 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.675 2.25 . . . . 64.11 112.323 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.71 -174.11 26.88 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.786 -0.721 . . . . 74.33 112.474 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.15 -25.62 14.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.737 0.303 . . . . 75.42 110.779 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -120.66 -39.71 2.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 74.12 110.812 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.47 167.83 27.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 75.14 110.858 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.59 139.85 58.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 54.23 111.1 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -122.07 99.64 6.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 74.23 110.891 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.3 m -102.6 155.71 18.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 73.43 110.863 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -153.58 174.79 14.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 74.12 110.896 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 32.2 mtp -99.97 92.44 5.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 64.33 110.849 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.6 t70 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 74.51 110.887 179.924 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.485 -0.246 . . . . 73.05 112.485 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -100.97 43.79 1.04 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.789 0.328 . . . . 73.54 110.87 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -160.29 149.61 17.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 71.3 110.877 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.4 ttt180 -101.73 117.64 35.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.505 . . . . 74.5 110.84 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.8 mtt-85 -106.83 161.78 14.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 73.02 110.902 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 51.1 m -140.04 117.82 11.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 63.12 110.862 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.8 pt -111.63 154.08 44.05 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.667 0.746 . . . . 73.23 111.074 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 125.86 12.63 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.729 2.286 . . . . 74.3 112.306 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.84 -170.48 24.36 Favored Glycine 0 C--N 1.332 0.342 0 C-N-CA 120.625 -0.797 . . . . 75.44 112.45 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -101.21 -25.76 13.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.904 0.383 . . . . 73.3 110.954 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -117.34 -39.81 3.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.873 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -155.67 167.86 29.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.465 . . . . 72.12 110.877 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.28 131.45 50.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 62.34 111.102 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -111.85 99.58 8.23 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.209 -0.451 . . . . 75.04 110.881 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 59.5 m -102.1 156.72 17.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 75.13 110.964 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -153.48 174.74 14.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.236 -0.438 . . . . 73.51 110.977 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 15.9 mtt -102.96 93.51 5.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 64.35 110.887 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.3 t70 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 74.52 110.889 -179.973 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.544 -0.223 . . . . 63.31 112.544 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -101.47 43.84 1.04 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.866 0.365 . . . . 72.31 110.883 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -160.47 149.52 17.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 71.41 110.982 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -100.75 116.71 33.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.106 -0.497 . . . . 71.31 110.94 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 44.8 mtp85 -106.09 162.26 13.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 54.03 110.88 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 53.4 m -140.07 117.82 11.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 74.5 110.964 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.2 pt -110.99 154.16 43.54 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.613 0.72 . . . . 73.34 111.148 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 125.84 12.59 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.642 2.228 . . . . 60.14 112.424 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.88 -172.71 25.49 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.746 -0.74 . . . . 61.42 112.438 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.2 ttt -99.58 -25.66 14.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.839 0.352 . . . . 74.23 110.935 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -118.68 -39.75 2.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 71.43 110.886 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.36 167.8 28.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.085 -0.507 . . . . 75.33 110.834 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.36 135.12 57.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 74.14 111.178 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -116.42 99.69 7.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.425 . . . . 74.34 110.935 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 59.3 m -102.6 156.36 17.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 62.41 110.869 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 37.0 p90 -153.48 174.75 14.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 60.13 110.945 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 26.0 mtt -101.81 93.01 5.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.437 . . . . 75.45 110.93 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.8 t0 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 74.0 110.985 179.953 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.429 -0.268 . . . . 71.33 112.429 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 -96.27 49.55 1.13 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.85 0.357 . . . . 75.33 110.846 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -161.56 148.41 14.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 72.3 110.904 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -102.29 124.52 48.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.102 -0.499 . . . . 73.42 110.873 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -117.5 157.12 26.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 72.21 110.902 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 45.5 m -140.06 117.79 11.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 31.31 110.847 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.1 pt -112.01 154.09 44.34 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.66 0.743 . . . . 74.32 111.126 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.76 125.88 12.66 Favored 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 122.683 2.255 . . . . 75.21 112.326 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.41 -171.58 23.9 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.643 -0.789 . . . . 71.03 112.527 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.98 -25.48 14.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.747 0.308 . . . . 63.54 110.731 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -117.02 -39.84 3.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.375 -0.375 . . . . 74.41 110.88 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -155.82 167.79 29.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 73.3 110.878 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.01 128.31 35.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 73.45 111.128 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -107.78 99.66 9.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 60.45 110.893 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.1 m -103.07 157.68 16.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.087 -0.506 . . . . 71.42 110.837 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -153.43 174.54 14.24 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.127 -0.488 . . . . 73.22 110.917 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 4.3 mmm -107.01 94.78 5.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.023 -0.535 . . . . 62.34 110.899 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.6 t70 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.224 -0.443 . . . . 71.34 110.901 179.946 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.478 -0.249 . . . . 34.21 112.478 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 17.3 mtt85 -96.26 49.4 1.13 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.77 0.319 . . . . 73.12 110.846 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.8 t80 -161.56 148.51 14.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 72.15 110.858 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.7 ttt180 -102.27 124.49 47.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.016 -0.538 . . . . 73.33 110.894 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 -117.4 157.24 26.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 73.44 110.862 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 46.3 m -140.04 117.73 11.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 53.42 110.938 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.5 pt -112.08 154.13 44.38 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.583 0.706 . . . . 64.24 111.168 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.83 125.86 12.59 Favored 'Trans proline' 0 N--CA 1.466 -0.141 0 C-N-CA 122.631 2.221 . . . . 70.42 112.424 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.21 -171.67 24.09 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.721 -0.752 . . . . 70.4 112.506 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.88 -25.46 14.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.801 0.334 . . . . 65.14 110.823 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -117.1 -39.72 3.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 74.31 110.878 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -156.02 167.74 29.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 70.24 110.82 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.75 128.9 38.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 45.34 111.007 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -108.6 99.52 8.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 75.34 111.011 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.8 m -102.93 157.66 16.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.123 -0.489 . . . . 71.41 110.875 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 28.2 p90 -153.35 174.51 14.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.115 -0.493 . . . . 63.3 110.916 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 34.2 mtt -106.96 94.95 5.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 74.54 110.841 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.0 t0 . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.253 -0.43 . . . . 62.55 110.879 179.934 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.574 -0.21 . . . . 54.42 112.574 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -96.44 49.46 1.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.834 0.349 . . . . 64.24 110.781 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -161.55 148.47 14.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 74.04 110.87 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -102.27 124.65 48.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.1 -0.5 . . . . 73.2 110.944 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.6 mtm180 -117.86 157.29 26.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 63.33 110.768 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 45.6 m -140.03 117.84 11.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.053 -0.521 . . . . 72.22 110.821 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.2 pt -112.18 154.15 44.45 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.68 0.752 . . . . 65.43 111.121 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.76 125.94 12.73 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.669 2.246 . . . . 72.12 112.332 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.75 -170.27 23.51 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.723 -0.751 . . . . 70.13 112.562 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.76 -25.6 13.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.782 0.325 . . . . 64.12 110.933 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -116.79 -39.81 3.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 75.21 110.79 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -156.0 167.61 29.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 74.34 110.893 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.07 127.09 29.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 54.25 111.062 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -105.98 99.62 9.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 70.21 110.865 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.1 m -102.81 157.61 16.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 65.25 110.805 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 30.6 p90 -153.41 174.62 14.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.092 -0.504 . . . . 74.03 110.934 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.3 mmt -107.26 95.01 5.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 63.35 110.779 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.1 t70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 73.33 110.895 179.893 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.55 -0.22 . . . . 74.42 112.55 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 42.7 mtt-85 -95.99 49.41 1.15 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.742 0.306 . . . . 75.53 110.804 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -161.43 148.54 14.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 54.33 110.889 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -102.39 124.61 48.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.099 -0.5 . . . . 53.31 110.88 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 -117.67 157.29 26.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 75.23 110.854 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 44.7 m -139.94 117.83 11.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 73.53 110.949 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.7 pt -112.32 154.11 44.57 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.703 0.764 . . . . 65.43 111.042 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.69 125.89 12.71 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.704 2.269 . . . . 64.14 112.306 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.59 -170.77 23.68 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.758 -0.734 . . . . 75.24 112.494 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.4 ttm -101.41 -25.68 13.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.746 0.308 . . . . 73.33 110.869 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -116.46 -39.89 3.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 74.44 110.916 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.5 ptt180 -156.37 167.74 29.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.113 -0.494 . . . . 53.42 110.806 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.63 127.55 32.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 72.51 111.136 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -106.98 99.54 9.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 73.32 110.919 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.8 m -102.7 157.63 16.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 75.52 110.924 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 32.3 p90 -153.3 174.57 14.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.269 -0.423 . . . . 72.44 110.855 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 6.7 mtt -106.99 94.87 5.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.083 -0.508 . . . . 72.14 110.98 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.3 t0 . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 116.276 -0.42 . . . . 63.34 110.859 -180.0 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.434 0 N-CA-C 112.459 -0.256 . . . . 51.15 112.459 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.26 49.48 1.13 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.818 0.342 . . . . 72.2 110.908 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 37.7 t80 -161.59 148.5 14.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.085 -0.507 . . . . 55.22 110.962 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -102.23 124.55 48.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 74.2 110.941 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.2 mtm180 -117.63 157.36 26.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 75.24 110.868 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 43.8 m -140.04 117.79 11.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 65.03 110.832 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.6 pt -112.36 154.11 44.6 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.628 0.728 . . . . 75.53 111.097 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 125.89 12.67 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.733 2.289 . . . . 74.12 112.272 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.97 -169.71 23.29 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.801 -0.714 . . . . 72.34 112.474 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.2 ttt -102.07 -25.62 13.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.795 0.331 . . . . 73.01 110.963 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -116.44 -39.83 3.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 75.54 110.817 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.9 ptt-85 -156.46 167.64 29.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.234 -0.439 . . . . 74.11 110.811 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.82 126.19 26.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 70.22 111.156 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -105.12 99.69 9.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 75.23 110.863 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.2 m -102.67 157.59 16.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 62.14 110.815 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 27.7 p90 -153.33 174.48 14.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 75.3 110.943 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 35.0 mtt -106.91 94.85 5.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 55.21 110.894 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.2 t0 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 64.23 110.888 -179.97 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.46 -0.256 . . . . 54.41 112.46 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -96.01 49.7 1.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.834 0.349 . . . . 63.24 110.875 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -161.27 148.71 15.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.479 . . . . 75.41 110.95 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -101.15 124.29 46.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 74.22 110.877 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.4 mtp180 -116.83 155.99 28.05 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.237 -0.438 . . . . 65.52 110.868 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.0 m -139.99 117.73 11.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.101 -0.499 . . . . 72.35 110.96 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 5.3 pt -112.67 154.09 44.84 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.624 0.726 . . . . 75.45 111.139 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 125.91 12.67 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.625 2.216 . . . . 64.44 112.366 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.3 -171.55 23.99 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.822 -0.704 . . . . 73.01 112.476 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 4.1 ttt -100.88 -25.69 14.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.882 0.373 . . . . 72.3 110.984 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -116.88 -39.94 3.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 70.33 110.842 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -155.8 167.68 29.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.182 -0.463 . . . . 74.35 110.861 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.75 128.39 36.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 65.22 111.116 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -108.02 99.53 8.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 75.2 110.974 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.1 m -103.22 157.75 16.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.07 -0.514 . . . . 75.3 110.929 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.7 p90 -153.34 174.78 13.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 72.23 110.964 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 23.9 mmm -106.61 94.75 5.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 70.24 110.803 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 34.2 t0 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 75.12 110.886 179.948 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.502 -0.239 . . . . 75.25 112.502 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 33.5 mtm180 -96.16 49.52 1.14 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.847 0.356 . . . . 75.23 110.885 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -161.16 148.67 15.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 74.41 110.953 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -101.24 124.03 46.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.197 -0.456 . . . . 74.53 110.852 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.3 mtp180 -116.4 156.1 27.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 72.21 110.89 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 36.7 m -140.11 117.86 11.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 72.43 110.757 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.1 pt -113.06 154.1 45.14 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.682 0.753 . . . . 64.32 111.126 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.81 125.85 12.6 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.715 2.277 . . . . 73.03 112.281 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.33 -170.97 23.92 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.831 -0.7 . . . . 71.21 112.487 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.7 ttt -101.29 -25.49 13.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.854 0.359 . . . . 72.33 110.992 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -116.8 -39.91 3.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 72.24 110.911 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -156.15 167.72 29.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.121 -0.49 . . . . 62.4 110.828 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.75 127.25 30.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.116 -0.493 . . . . 72.21 111.101 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -106.77 99.62 9.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 75.4 110.89 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.3 m -103.1 157.68 16.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 72.55 110.866 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.3 p90 -153.29 174.78 13.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 75.32 110.826 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 10.6 mtp -106.46 94.65 5.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.016 -0.538 . . . . 53.54 110.884 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 27.5 t70 . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 116.283 -0.417 . . . . 74.3 110.834 179.952 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.228 0 N-CA-C 112.504 -0.238 . . . . 62.04 112.504 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.15 49.56 1.14 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.767 0.318 . . . . 72.43 110.9 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -161.34 148.71 14.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.163 -0.472 . . . . 74.53 110.909 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 47.8 ttt180 -101.11 124.25 46.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.495 . . . . 71.45 110.853 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.1 mtp180 -116.79 156.04 27.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 54.15 110.87 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 39.0 m -139.97 117.71 11.63 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.214 -0.448 . . . . 74.21 110.812 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 6.2 pt -112.87 154.0 45.02 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.662 0.744 . . . . 52.43 111.145 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.64 125.78 12.61 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.705 2.27 . . . . 63.31 112.383 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.49 -169.98 23.74 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.741 -0.743 . . . . 60.35 112.513 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.06 -25.64 13.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.787 0.327 . . . . 63.21 110.891 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -116.56 -39.99 3.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.269 -0.423 . . . . 75.52 110.923 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -155.83 167.69 29.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 75.51 110.887 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.97 126.74 28.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 70.1 111.159 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -105.84 99.6 9.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.284 -0.417 . . . . 75.04 110.925 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.6 m -103.04 157.64 16.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.167 -0.47 . . . . 71.33 110.878 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -153.32 174.68 14.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.214 -0.448 . . . . 75.54 110.942 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.5 mmt -106.52 94.72 5.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 55.42 110.923 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.6 t0 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 60.41 110.815 -179.946 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.211 0 N-CA-C 112.505 -0.238 . . . . 52.45 112.505 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 68.0 mtm180 -96.29 49.49 1.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.844 0.354 . . . . 73.23 110.866 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -161.25 148.73 15.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.146 -0.479 . . . . 64.33 110.889 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.1 ttt180 -101.26 123.86 46.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.084 -0.507 . . . . 71.23 110.88 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.4 mtp180 -116.33 156.14 27.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.299 -0.409 . . . . 74.1 110.897 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 39.8 m -140.13 117.74 11.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.134 -0.484 . . . . 72.25 110.889 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.7 pt -112.9 154.15 45.0 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.657 0.741 . . . . 75.13 111.067 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 125.75 12.5 Favored 'Trans proline' 0 N--CA 1.464 -0.215 0 C-N-CA 122.777 2.318 . . . . 72.32 112.372 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.48 -169.47 23.73 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.747 -0.739 . . . . 61.25 112.512 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -102.38 -25.47 13.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.806 0.336 . . . . 71.03 110.92 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -117.09 -39.8 3.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 75.22 110.93 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -155.67 167.69 29.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 70.11 110.861 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.05 126.47 27.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 72.03 111.04 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -105.4 99.65 9.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 71.41 110.896 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.2 m -103.1 157.61 16.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 71.23 110.905 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.1 p90 -153.36 174.8 13.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 74.12 110.946 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 9.2 mmm -106.59 94.73 5.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.109 -0.496 . . . . 73.14 110.859 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.9 t0 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 74.04 110.91 179.93 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.509 -0.237 . . . . 53.31 112.509 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -96.16 49.57 1.14 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.863 0.363 . . . . 74.53 110.952 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -161.39 148.7 14.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.44 . . . . 72.14 110.908 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -101.17 124.26 46.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 74.14 110.935 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -116.88 156.16 27.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 74.01 110.909 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 38.2 m -140.09 117.8 11.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.186 -0.461 . . . . 55.54 110.805 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 12.3 pt -112.93 154.15 45.02 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.607 0.718 . . . . 55.32 111.174 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 125.96 12.73 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.665 2.243 . . . . 74.41 112.366 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.77 -168.87 23.44 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.707 -0.759 . . . . 63.25 112.487 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.78 -25.33 13.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.756 0.313 . . . . 72.44 110.85 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -116.91 -39.86 3.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.318 -0.401 . . . . 74.45 110.781 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.1 ptp180 -155.98 167.69 29.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.298 -0.41 . . . . 74.42 110.9 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.13 125.7 24.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 50.23 111.156 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -104.5 99.59 9.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 74.53 110.884 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.1 m -102.77 157.68 16.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.075 -0.511 . . . . 61.05 110.961 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.6 p90 -153.34 174.62 14.09 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.149 -0.478 . . . . 64.22 111.013 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 29.7 mtp -106.35 94.75 5.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 64.32 110.968 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 19.3 t70 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 72.04 110.865 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.612 -0.195 . . . . 63.11 112.612 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 54.7 mtt180 -96.53 49.31 1.1 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.799 0.333 . . . . 71.3 110.819 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -161.55 148.4 14.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 75.43 110.946 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.3 ttm-85 -102.08 124.35 47.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 75.43 110.94 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.6 mtm180 -117.29 157.21 26.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 74.33 110.897 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 47.5 m -139.98 117.81 11.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 71.42 110.918 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 7.6 pt -111.95 154.11 44.29 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.557 0.694 . . . . 74.41 111.076 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.85 125.95 12.69 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.642 2.228 . . . . 72.53 112.343 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.68 -173.97 23.0 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.713 -0.756 . . . . 72.23 112.482 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.4 tpp -99.51 -25.36 14.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.754 0.311 . . . . 74.11 110.862 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -115.18 -40.04 3.53 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.298 -0.41 . . . . 73.11 110.87 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.05 167.58 29.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 75.52 110.833 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.13 126.73 28.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 64.3 111.01 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -106.46 99.74 9.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 70.41 110.911 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.0 m -102.84 157.58 16.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.1 -0.5 . . . . 73.43 110.826 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 26.9 p90 -153.37 174.55 14.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 74.52 110.946 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 43.2 mtp -107.13 94.87 5.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.097 -0.502 . . . . 73.52 110.894 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.2 t70 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 72.4 110.917 179.936 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.436 0 N-CA-C 112.427 -0.269 . . . . 53.51 112.427 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 24.4 mtt180 -98.48 45.38 1.01 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.844 0.354 . . . . 75.44 110.861 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -160.77 149.0 16.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 72.12 110.917 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.0 ttt85 -101.97 121.06 41.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 75.43 110.919 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -110.34 159.28 17.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 65.21 110.854 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 45.7 m -140.1 117.72 11.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 74.31 110.981 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 17.0 pt -112.18 154.08 44.47 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.613 0.72 . . . . 73.12 111.143 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.68 125.87 12.7 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.693 2.262 . . . . 52.21 112.319 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.85 -171.76 24.43 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.856 -0.687 . . . . 74.2 112.548 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -100.68 -25.7 14.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.937 0.399 . . . . 75.31 110.978 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -117.17 -39.87 3.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 72.13 110.914 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 8.7 ptt85 -155.62 167.7 29.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 63.42 110.903 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.35 130.87 48.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 62.03 111.171 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -111.27 99.73 8.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 72.1 110.865 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.6 m -102.89 157.69 16.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 75.2 110.822 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -153.24 174.9 13.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.071 -0.513 . . . . 74.22 110.996 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.4 mmt -105.4 94.77 5.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 61.3 110.908 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 30.1 t70 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 45.4 110.789 -179.895 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.453 -0.259 . . . . 74.05 112.453 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.77 49.27 1.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 72.41 110.929 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -161.17 148.52 15.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.459 . . . . 73.21 110.902 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -101.11 124.06 46.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 71.51 110.915 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -116.37 156.11 27.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.162 -0.472 . . . . 71.32 110.942 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 38.7 m -140.04 117.65 11.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.437 . . . . 73.25 110.886 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.0 pt -112.9 154.04 45.03 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.607 0.717 . . . . 71.21 111.234 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 125.87 12.7 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.783 2.322 . . . . 72.44 112.328 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.62 -170.0 23.62 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 120.606 -0.807 . . . . 64.33 112.477 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -101.97 -25.69 13.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.892 0.377 . . . . 74.42 110.962 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -116.56 -39.9 3.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 62.24 110.872 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.3 ptt-85 -156.06 167.84 29.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 63.3 110.821 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.93 126.84 28.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 74.1 111.096 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -105.94 99.61 9.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 54.32 110.941 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.4 m -103.16 157.78 16.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 71.21 110.859 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.5 p90 -153.33 174.65 14.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 71.3 110.831 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 10.7 mtp -106.36 94.73 5.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.04 -0.527 . . . . 73.41 110.911 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 43.5 t0 . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.371 -0.377 . . . . 75.04 110.792 -179.939 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.422 -0.271 . . . . 32.22 112.422 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 35.3 mtm-85 -101.22 44.02 1.03 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.903 0.382 . . . . 73.25 110.902 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -160.51 149.5 17.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 74.23 110.958 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.6 ttt180 -100.97 116.69 33.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.081 -0.509 . . . . 64.35 110.903 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 44.6 mtp85 -105.65 162.13 13.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 75.15 110.804 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 52.1 m -140.09 117.71 11.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 74.32 110.946 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 6.5 pt -111.47 154.13 43.91 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.596 0.713 . . . . 75.25 111.153 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 125.75 12.51 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.727 2.284 . . . . 75.13 112.314 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.85 -170.65 24.36 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.689 -0.767 . . . . 72.04 112.453 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 2.4 ttt -101.19 -25.34 14.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.712 0.291 . . . . 71.14 110.891 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -117.53 -39.9 3.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.272 -0.422 . . . . 62.31 110.866 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.9 ptt180 -155.97 167.8 29.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 73.02 110.824 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.1 131.09 49.44 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.079 -0.51 . . . . 74.51 111.107 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -111.56 99.74 8.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 72.55 110.922 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 59.6 m -102.2 156.45 17.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.084 -0.507 . . . . 73.41 110.836 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 38.1 p90 -153.56 174.72 14.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 73.22 110.972 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 7.5 mmt -101.91 93.08 5.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 74.03 110.948 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.9 t70 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.327 -0.397 . . . . 74.04 110.916 179.98 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.5 -0.24 . . . . 73.32 112.5 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.7 mtt85 -101.87 43.68 1.05 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.762 0.315 . . . . 72.52 110.94 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -160.59 149.44 16.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 64.31 110.877 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -100.22 116.26 31.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 74.23 110.956 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 44.4 mtt-85 -106.0 162.89 13.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.297 -0.411 . . . . 55.33 110.829 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 53.6 m -140.01 117.91 11.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 61.43 110.932 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 13.5 pt -111.13 154.03 43.69 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.546 0.689 . . . . 63.31 111.136 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.68 125.77 12.57 Favored 'Trans proline' 0 N--CA 1.467 -0.082 0 C-N-CA 122.665 2.243 . . . . 75.12 112.369 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.16 -168.9 24.01 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.753 -0.737 . . . . 62.24 112.475 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.18 -26.53 13.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.922 0.391 . . . . 60.1 110.949 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -116.36 -39.85 3.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.484 . . . . 71.3 110.898 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -156.09 167.81 29.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 74.42 110.895 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.12 130.79 48.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.253 -0.43 . . . . 75.42 111.021 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -110.78 99.58 8.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 73.25 110.936 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.7 m -101.68 155.86 17.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 72.42 110.863 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 36.1 p90 -153.61 174.72 14.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 64.33 110.846 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 6.9 mtp -100.72 92.82 5.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 73.23 110.83 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.5 t70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.278 -0.419 . . . . 73.01 110.821 179.888 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.165 0 N-CA-C 112.446 -0.261 . . . . 51.34 112.446 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 15.8 mtp180 -96.09 49.72 1.15 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.867 0.365 . . . . 71.35 110.83 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -161.41 148.8 14.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 73.45 110.842 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.26 124.04 46.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.013 -0.54 . . . . 75.43 110.854 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -116.64 156.14 27.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 64.4 110.855 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 39.8 m -140.04 117.72 11.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 71.31 110.832 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 8.2 pt -112.58 154.25 44.73 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.585 0.707 . . . . 73.45 111.09 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -69.93 125.99 12.69 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.606 2.204 . . . . 55.24 112.272 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.99 -165.19 22.26 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.811 -0.709 . . . . 60.51 112.484 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.9 -34.73 7.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.682 0.277 . . . . 61.01 110.831 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -107.18 -41.23 5.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.378 -0.373 . . . . 74.35 110.935 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.61 167.76 29.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 73.53 110.915 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.77 128.86 38.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 64.41 111.118 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -106.75 99.63 9.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 72.44 110.862 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.3 m -103.18 157.63 16.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.078 -0.51 . . . . 72.42 110.906 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -153.17 174.75 13.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 72.54 110.943 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 2.6 mmt -106.55 94.66 5.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 72.22 110.936 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.8 t70 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 64.02 110.845 -179.985 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 N-CA-C 112.509 -0.236 . . . . 63.42 112.509 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 26.3 mtt-85 -100.55 43.62 1.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.784 0.326 . . . . 72.2 110.819 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -160.26 149.05 17.07 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.28 -0.418 . . . . 62.43 110.991 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -102.81 120.83 41.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 75.3 110.884 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.8 mmm-85 -110.79 163.94 13.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.153 -0.476 . . . . 71.53 110.963 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 52.8 m -140.04 117.81 11.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.29 -0.414 . . . . 73.21 110.91 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 15.4 pt -111.34 154.11 43.82 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.581 0.705 . . . . 61.53 111.076 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 125.81 12.57 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.698 2.266 . . . . 74.52 112.302 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.02 -168.46 24.13 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.713 -0.756 . . . . 72.32 112.561 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -102.47 -25.51 13.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.828 0.347 . . . . 70.55 110.807 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -117.43 -39.86 3.13 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.26 -0.427 . . . . 73.32 110.856 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -155.89 167.76 29.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 64.51 110.898 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.93 130.42 46.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.425 . . . . 42.12 111.062 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -110.49 99.63 8.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 71.2 111.018 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.9 m -101.47 156.14 17.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 62.03 110.873 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 35.0 p90 -153.5 174.72 14.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 75.44 110.861 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 18.8 mtt -104.44 94.71 5.48 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.111 -0.495 . . . . 72.11 110.913 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.0 t70 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.472 . . . . 34.42 110.815 -179.946 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.468 -0.253 . . . . 55.05 112.468 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -101.91 43.86 1.04 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.893 0.378 . . . . 64.05 110.979 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.0 t80 -160.45 149.54 17.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 71.12 110.873 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -99.92 116.8 32.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 60.21 110.916 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 44.0 mtt-85 -107.39 163.23 13.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 72.33 110.859 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 56.6 m -139.86 117.81 11.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 61.42 110.917 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 19.2 pt -109.8 154.25 42.63 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.724 0.773 . . . . 73.34 111.119 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.74 125.84 12.63 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.675 2.25 . . . . 64.11 112.323 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.71 -174.11 26.88 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.786 -0.721 . . . . 74.33 112.474 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.15 -25.62 14.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.737 0.303 . . . . 75.42 110.779 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -120.66 -39.71 2.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 74.12 110.812 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.47 167.83 27.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 75.14 110.858 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.59 139.85 58.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 54.23 111.1 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -122.07 99.64 6.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 74.23 110.891 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.3 m -102.6 155.71 18.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 73.43 110.863 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -153.58 174.79 14.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 74.12 110.896 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 32.2 mtp -99.97 92.44 5.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 64.33 110.849 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.6 t70 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 74.51 110.887 179.924 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.485 -0.246 . . . . 73.05 112.485 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -100.97 43.79 1.04 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.789 0.328 . . . . 73.54 110.87 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -160.29 149.61 17.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 71.3 110.877 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.4 ttt180 -101.73 117.64 35.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.505 . . . . 74.5 110.84 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.8 mtt-85 -106.83 161.78 14.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 73.02 110.902 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 51.1 m -140.04 117.82 11.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 63.12 110.862 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 9.8 pt -111.63 154.08 44.05 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.667 0.746 . . . . 73.23 111.074 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 125.86 12.63 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.729 2.286 . . . . 74.3 112.306 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.84 -170.48 24.36 Favored Glycine 0 C--N 1.332 0.342 0 C-N-CA 120.625 -0.797 . . . . 75.44 112.45 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -101.21 -25.76 13.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.904 0.383 . . . . 73.3 110.954 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 40.8 m-85 -117.34 -39.81 3.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 74.31 110.873 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -155.67 167.86 29.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.465 . . . . 72.12 110.877 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.28 131.45 50.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 62.34 111.102 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -111.85 99.58 8.23 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.209 -0.451 . . . . 75.04 110.881 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 59.5 m -102.1 156.72 17.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 75.13 110.964 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -153.48 174.74 14.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.236 -0.438 . . . . 73.51 110.977 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 15.9 mtt -102.96 93.51 5.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 64.35 110.887 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 32.3 t70 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 74.52 110.889 -179.973 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.544 -0.223 . . . . 63.31 112.544 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -101.47 43.84 1.04 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.866 0.365 . . . . 72.31 110.883 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -160.47 149.52 17.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 71.41 110.982 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -100.75 116.71 33.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.106 -0.497 . . . . 71.31 110.94 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 44.8 mtp85 -106.09 162.26 13.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 54.03 110.88 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 53.4 m -140.07 117.82 11.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 74.5 110.964 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.2 pt -110.99 154.16 43.54 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.613 0.72 . . . . 73.34 111.148 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 125.84 12.59 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.642 2.228 . . . . 60.14 112.424 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.88 -172.71 25.49 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.746 -0.74 . . . . 61.42 112.438 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 3.2 ttt -99.58 -25.66 14.35 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.839 0.352 . . . . 74.23 110.935 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -118.68 -39.75 2.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 71.43 110.886 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.36 167.8 28.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.085 -0.507 . . . . 75.33 110.834 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.36 135.12 57.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 74.14 111.178 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -116.42 99.69 7.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.425 . . . . 74.34 110.935 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 59.3 m -102.6 156.36 17.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 62.41 110.869 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 37.0 p90 -153.48 174.75 14.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 60.13 110.945 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 26.0 mtt -101.81 93.01 5.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.437 . . . . 75.45 110.93 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 25.8 t0 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 74.0 110.985 179.953 . . . . . . . . 0 0 . 1 stop_ save_