data_2w9v_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 2w9v _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.75 0.309 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.71 89.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.781 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.42 152.74 20.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.61 -160.49 28.79 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.498 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.69 -44.24 0.3 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.692 2.261 . . . . 0.0 112.551 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -98.92 63.07 1.35 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.012 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.6 m -139.56 134.94 32.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 47.8 ttt180 -78.35 69.15 4.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.771 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 69.09 -67.54 0.21 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.054 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -136.21 34.79 2.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.876 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.6 mttm -158.62 173.13 17.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.0 mt -73.69 122.82 22.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.849 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? -60.81 138.89 93.58 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.692 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -62.51 143.78 93.6 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.503 2.135 . . . . 0.0 112.265 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.7 140.33 29.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.237 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.78 -13.13 29.72 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.675 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.8 m -75.86 117.26 17.41 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.831 0.348 . . . . 0.0 110.913 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.418 HG21 ' CD1' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -61.83 145.01 53.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.922 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.2 p -160.59 30.28 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 24.7 t-105 -177.7 66.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.719 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -124.22 111.32 15.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.3 p -125.73 -167.25 1.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.826 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.68 -30.12 65.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.981 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.9 t -133.17 31.39 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.083 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.76 154.52 40.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 97.1 p -176.62 89.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.957 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.409 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 45.2 m170 -116.75 -178.15 3.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.418 ' CD1' HG21 ' A' ' 21' ' ' THR . 32.6 m-85 -143.24 168.96 18.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -86.48 152.67 22.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.4 t -104.85 16.24 26.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.179 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.54 25.66 21.39 Favored Glycine 0 C--N 1.332 0.327 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.701 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.7 ttt180 -112.19 -34.4 5.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.804 0.335 . . . . 0.0 110.926 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 40.5 m -145.82 158.07 43.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.6 m -71.04 -26.91 63.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -77.82 138.13 38.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.958 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.08 136.34 82.16 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.26 161.22 46.8 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.46 2.106 . . . . 0.0 112.29 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.0 t -98.63 35.97 1.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -148.87 150.44 32.75 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.409 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 55.5 Cg_endo -70.01 164.63 34.08 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.555 2.17 . . . . 0.0 112.306 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.426 -1.208 . . . . 0.0 112.502 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.1 m . . . . . 0 CA--C 1.529 0.173 0 CA-C-O 120.572 0.225 . . . . 0.0 111.561 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 58.0 89.43 0.05 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.819 0.342 . . . . 0.0 110.846 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.7 p -109.96 148.57 31.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.984 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.17 -166.43 32.08 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.391 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -84.53 43.97 1.42 Allowed 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.791 2.328 . . . . 0.0 112.735 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 18.4 t -177.07 36.59 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.879 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m -130.24 150.72 51.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.457 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.2 mtp180 -90.77 -90.84 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.956 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -119.69 -22.82 6.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.719 0.295 . . . . 0.0 111.012 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 37.2 t -177.79 36.65 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.759 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -167.06 148.1 5.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.926 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.51 121.66 10.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.874 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.28 150.95 50.67 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -65.38 148.74 88.42 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.592 2.195 . . . . 0.0 112.331 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.35 155.16 2.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.192 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.8 -20.73 47.31 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.537 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.3 m -70.75 112.57 7.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.843 0.354 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.46 135.83 38.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.808 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.9 p -106.16 -31.92 8.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -143.78 103.88 4.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -142.36 137.26 30.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.7 p -137.81 38.54 2.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 m 60.69 36.19 19.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.6 m -158.74 -44.84 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.8 m -133.8 78.99 1.8 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.1 m -71.2 134.53 46.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 20.3 m170 -119.9 80.28 1.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -68.68 159.82 31.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.1 m -92.01 143.67 26.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.6 p -96.56 9.96 39.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 50.47 25.95 9.31 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.803 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.1 mtt-85 -115.01 -36.2 4.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.873 0.368 . . . . 0.0 111.03 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.9 t -140.59 146.68 38.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.857 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.4 -20.52 61.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.92 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -92.52 116.15 28.74 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.817 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.3 m -59.87 148.74 75.61 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.57 176.02 7.96 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.581 2.188 . . . . 0.0 112.305 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.95 31.51 5.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 28.0 p90 -145.91 156.2 51.58 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.943 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.87 179.53 3.69 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.564 2.176 . . . . 0.0 112.255 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.421 -1.211 . . . . 0.0 112.514 -179.999 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.4 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.866 0.365 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.402 ' CG2' ' CB ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER 60.59 77.46 0.32 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.813 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.9 117.47 6.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.61 -178.84 47.51 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.497 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -69.33 -35.24 14.29 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.633 2.222 . . . . 0.0 112.285 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 25.9 t -66.41 -15.16 63.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.284 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 79.6 m -110.48 145.92 36.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.721 0.296 . . . . 0.0 110.767 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -71.32 -87.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.06 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -117.59 -22.88 7.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.672 0.273 . . . . 0.0 111.112 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 179.75 37.18 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.992 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.09 144.91 8.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.93 117.28 4.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.8 mtpp -57.75 156.97 16.02 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_exo -51.92 144.71 35.1 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.57 2.18 . . . . 0.0 112.355 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.25 111.16 0.99 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.099 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 133.38 -8.12 5.02 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.745 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 32.2 m -70.05 111.1 5.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.858 0.361 . . . . 0.0 110.872 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.42 ' CG2' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -75.58 144.2 41.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.2 m -100.22 -74.64 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 19.7 t90 -109.19 79.53 1.23 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.9 ptt180 -75.98 126.57 31.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.54 -176.74 5.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.6 m -85.51 -31.48 22.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -93.46 -32.47 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.179 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.8 t -140.53 160.07 40.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.9 m -170.26 104.56 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.438 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 7.7 m170 -81.67 -178.93 7.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.42 ' CZ ' ' CG2' ' A' ' 21' ' ' THR . 8.8 m-85 -159.22 161.91 36.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 63.5 m -102.01 122.64 44.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.756 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.7 p -94.67 21.49 7.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.97 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 49.63 26.37 7.59 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.821 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.8 mtt180 -120.63 -41.55 2.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.876 0.369 . . . . 0.0 111.0 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 m -140.03 145.29 37.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.826 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.402 ' CB ' ' CG2' ' A' ' 5' ' ' THR . 0.8 OUTLIER -71.89 -20.5 61.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.965 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -74.4 91.17 2.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.808 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.4 m -55.82 108.96 1.35 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.002 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.402 ' O ' ' CG ' ' A' ' 30' ' ' HIS . 53.4 Cg_exo -52.43 170.87 0.23 Allowed 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.445 2.097 . . . . 0.0 112.295 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.1 t -114.92 69.92 0.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -121.14 87.6 44.22 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.01 116.25 2.67 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.597 2.198 . . . . 0.0 112.293 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.368 -1.24 . . . . 0.0 112.496 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.53 0.176 0 CA-C-O 120.764 0.316 . . . . 0.0 110.805 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 65.97 106.28 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.972 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.15 146.87 29.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.82 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.16 -154.33 25.46 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.631 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -77.45 -45.43 0.16 Allowed 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.716 2.277 . . . . 0.0 112.752 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.7 t -94.8 55.67 1.91 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.968 0.413 . . . . 0.0 111.174 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.1 m -137.62 109.55 7.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.973 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.8 ttt-85 -73.34 98.95 2.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.493 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 70.97 -65.75 0.33 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.597 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -166.14 42.42 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.606 179.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -155.76 157.11 35.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.803 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.91 119.26 7.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.7 mmtp -59.28 159.12 16.67 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -66.07 144.45 75.82 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.52 2.147 . . . . 0.0 112.335 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.87 157.58 12.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.073 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 65.25 22.75 69.43 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.539 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.9 m -114.8 128.51 56.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.789 0.328 . . . . 0.0 110.829 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.79 144.18 49.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.9 p -125.62 -43.51 1.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 15.7 t90 -114.32 84.7 2.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -65.99 166.17 11.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -160.03 -176.97 5.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 m -74.49 -31.42 62.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.3 p -159.71 49.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.04 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -151.24 -78.11 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.0 m 60.26 110.46 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -87.7 150.63 23.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -108.62 162.68 13.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.93 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 m -111.92 169.39 8.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.422 HG21 ' CE2' ' A' ' 42' ' ' TYR . 6.5 p -118.77 16.28 13.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.207 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.39 24.94 18.42 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.684 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -116.08 -35.6 4.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.758 0.314 . . . . 0.0 111.06 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 m -139.51 153.48 47.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.044 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -71.62 -24.22 61.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.967 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -79.48 156.8 27.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.14 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.5 m -113.39 95.55 36.27 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.623 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -67.96 66.67 0.93 Allowed 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.471 2.114 . . . . 0.0 112.618 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 43.55 30.92 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.674 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.422 ' CE2' HG21 ' A' ' 33' ' ' THR . 0.1 OUTLIER -59.66 110.63 2.92 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.871 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.53 -176.28 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.403 2.069 . . . . 0.0 112.293 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.407 -1.218 . . . . 0.0 112.506 -179.93 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 57.3 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.881 0.372 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 62.3 p -72.24 105.91 4.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.778 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.85 154.79 18.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.014 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.34 -170.83 24.9 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.489 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.62 -38.45 5.9 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.563 2.175 . . . . 0.0 112.403 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -89.11 53.69 2.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.041 0.448 . . . . 0.0 110.85 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 179.17 127.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.718 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -61.21 -88.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.035 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -122.9 -19.64 6.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.629 0.252 . . . . 0.0 111.401 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.8 t -177.01 36.0 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.094 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -151.73 124.71 8.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.807 0.336 . . . . 0.0 110.768 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.3 mt -51.78 110.86 0.51 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.753 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.5 mttt -47.85 147.92 3.08 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.042 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.62 135.02 37.36 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.495 2.13 . . . . 0.0 112.448 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.01 119.28 6.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.99 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.45 17.78 7.44 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.551 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 86.7 m -113.68 113.97 25.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.792 0.329 . . . . 0.0 110.783 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.4 HG22 ' CE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -61.56 135.74 57.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.829 -179.878 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.5 p -108.83 -40.61 4.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.424 ' CD1' ' HB3' ' A' ' 28' ' ' SER . 16.3 t-105 -112.36 82.49 1.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.844 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -148.63 76.76 1.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.2 t -74.95 -33.06 61.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -177.23 -40.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -111.55 -31.65 2.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.1 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.424 ' HB3' ' CD1' ' A' ' 23' ' ' TRP . 31.5 m -73.58 173.87 9.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.404 ' O ' ' CD2' ' A' ' 30' ' ' HIS . 0.4 OUTLIER -176.62 124.21 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.94 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.404 ' CD2' ' O ' ' A' ' 29' ' ' SER . 35.6 m-70 -150.49 93.32 1.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.4 ' CE1' HG22 ' A' ' 21' ' ' THR . 4.3 m-85 -65.27 150.12 48.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 9.0 t -86.53 143.4 27.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.7 p -93.69 6.6 47.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.245 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.86 56.48 7.53 Favored Glycine 0 C--N 1.333 0.396 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.855 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 32.0 mtp85 -154.86 -45.82 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.904 0.383 . . . . 0.0 111.192 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 44.1 t -136.98 157.82 45.86 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.058 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 51.9 m -71.93 -25.97 62.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -66.29 93.96 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.834 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.91 156.33 26.3 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.95 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -51.96 148.65 22.7 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.63 2.22 . . . . 0.0 112.293 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 79.4 p -83.67 -31.57 26.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 20.9 p90 -104.26 151.04 39.01 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.18 126.93 21.83 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.561 2.174 . . . . 0.0 112.295 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.029 0 CA-C-O 118.443 -1.198 . . . . 0.0 112.51 -179.987 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 65.4 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.863 0.363 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.7 m -78.33 69.23 4.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.71 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -48.34 116.49 1.58 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.305 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.86 179.33 44.39 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.357 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -69.22 -25.28 31.24 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.587 2.191 . . . . 0.0 112.389 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -100.28 30.19 3.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -127.54 159.52 34.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.754 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.8 mtp85 -120.17 80.54 1.62 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.711 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 70.96 -64.12 0.39 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -154.35 27.87 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.957 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.5 tttt -148.73 139.29 22.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.784 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 mt -54.19 122.43 10.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.8 151.8 30.34 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.866 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo -51.57 134.65 46.87 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.54 2.16 . . . . 0.0 112.397 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.87 116.71 3.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.87 25.65 7.47 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.586 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.4 m -111.33 111.38 22.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 0.0 110.864 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 t -54.58 155.07 4.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.027 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.7 p -107.25 -40.29 5.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.937 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.401 ' CE2' ' OG1' ' A' ' 25' ' ' THR . 18.0 t90 -98.78 -74.53 0.58 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 58.26 104.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.401 ' OG1' ' CE2' ' A' ' 23' ' ' TRP . 0.2 OUTLIER -112.76 -36.23 5.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.4 p -178.7 -39.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.899 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.4 p -153.68 45.19 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.008 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.402 ' O ' ' CD2' ' A' ' 30' ' ' HIS . 0.3 OUTLIER -142.18 33.71 1.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.92 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.5 m -66.25 85.56 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.402 ' CD2' ' O ' ' A' ' 28' ' ' SER . 36.1 m170 -60.18 -33.63 72.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 62.65 136.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.009 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.4 t -78.08 171.91 14.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.7 t -113.58 10.6 18.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.298 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 55.19 25.18 38.84 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.732 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.3 mtt-85 -109.82 -68.13 0.94 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.988 0.423 . . . . 0.0 110.802 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.7 t -109.46 172.49 6.82 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.756 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 66.7 m -105.67 19.07 21.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.052 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.32 83.59 1.86 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.677 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.0 t -48.76 105.75 0.54 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.224 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.89 177.95 5.15 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.436 2.09 . . . . 0.0 112.288 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.9 m -94.37 45.56 1.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -83.69 161.14 57.06 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.97 177.46 5.7 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.615 2.21 . . . . 0.0 112.315 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.365 -1.242 . . . . 0.0 112.496 179.952 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 CA--C 1.528 0.132 0 CA-C-O 120.479 0.181 . . . . 0.0 111.319 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.3 t 43.48 88.52 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.904 0.383 . . . . 0.0 111.331 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -79.56 164.58 23.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.007 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.22 176.71 15.28 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.506 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.62 -25.4 20.85 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.581 2.187 . . . . 0.0 112.441 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -94.19 46.24 1.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.992 0.425 . . . . 0.0 110.96 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.2 m -126.19 163.52 22.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.736 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.42 ' O ' ' HB2' ' A' ' 12' ' ' GLN . 0.3 OUTLIER -92.66 -29.99 15.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.993 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.42 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 11.8 tm0? 170.88 -30.21 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.959 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -164.71 31.46 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.798 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.5 mttp -172.36 172.56 4.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.73 139.12 57.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.0 tttt -83.11 145.81 50.07 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.808 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.55 142.19 49.93 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.504 2.136 . . . . 0.0 112.33 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.52 109.31 0.87 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.077 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.64 23.28 4.77 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.63 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 21.5 m -108.14 115.07 29.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.819 0.342 . . . . 0.0 110.78 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.01 149.33 27.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.964 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 56.3 m -84.38 -45.59 12.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 29.2 t90 -154.53 81.08 1.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -68.88 133.58 48.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.9 t -162.84 33.59 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.6 t 78.17 -56.47 0.48 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.077 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 18.3 m -81.23 -32.16 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.113 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 t -107.56 146.68 31.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.9 m -173.46 79.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -106.43 97.58 7.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -73.29 137.3 44.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 94.0 m -71.25 155.63 40.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.7 p -102.78 14.55 31.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.195 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 50.03 26.04 8.3 Favored Glycine 0 C--N 1.333 0.373 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.798 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.8 tpp85 -118.15 -38.24 3.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.834 0.35 . . . . 0.0 111.049 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.1 m -141.59 172.59 12.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.829 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -102.56 16.47 26.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.098 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -110.65 107.37 16.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.54 147.88 67.97 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.947 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.48 177.11 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.539 2.159 . . . . 0.0 112.313 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.4 t -102.7 -32.02 10.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 18.4 p90 -98.12 161.1 26.62 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.18 144.21 39.25 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.561 2.174 . . . . 0.0 112.33 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.398 -1.223 . . . . 0.0 112.521 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.922 0.391 . . . . 0.0 110.815 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 66.09 109.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.87 129.03 56.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.65 -168.89 41.47 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.474 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.43 -26.62 20.13 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.632 2.221 . . . . 0.0 112.39 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 36.9 t -98.74 10.45 41.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.426 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 94.0 m -116.19 143.31 45.67 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.85 0.357 . . . . 0.0 110.897 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.1 ttt85 -95.68 98.74 10.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.806 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 69.18 -68.34 0.19 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -159.44 37.27 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.693 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.5 tttm -152.05 145.6 24.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.83 121.69 11.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.3 mttt -57.17 156.28 14.83 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.956 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.53 145.17 75.68 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.578 2.185 . . . . 0.0 112.306 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.27 115.65 5.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.041 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.77 22.2 5.11 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.615 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.1 m -101.16 169.56 8.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.841 0.353 . . . . 0.0 110.77 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.58 170.2 12.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.8 t -151.59 -46.95 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.42 ' HB3' ' CD2' ' A' ' 30' ' ' HIS . 0.1 OUTLIER -131.1 92.03 3.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.6 mtp180 -93.88 135.44 35.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -168.96 -176.83 2.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.6 m -98.26 35.64 1.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -151.99 -45.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.157 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.6 m -131.96 169.45 16.29 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.5 t -151.37 95.58 2.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.42 ' CD2' ' HB3' ' A' ' 23' ' ' TRP . 13.3 m-70 -80.65 138.23 36.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -122.23 147.52 46.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.6 m -92.42 133.66 35.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.0 t -92.02 12.47 21.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.284 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 49.96 26.85 9.05 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.752 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.0 ttt-85 -102.77 -35.63 8.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.358 . . . . 0.0 110.95 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.6 m -160.82 167.92 25.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.14 -29.5 64.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.28 90.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.961 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.1 t -59.01 109.6 2.01 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.5 170.25 16.7 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.403 2.068 . . . . 0.0 112.326 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.6 t -115.18 70.15 0.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -114.93 86.33 13.25 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.17 112.75 0.94 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.576 2.184 . . . . 0.0 112.335 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.082 0 CA-C-O 118.414 -1.214 . . . . 0.0 112.484 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.848 0.356 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.2 t -72.76 161.78 30.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.4 p -123.14 155.38 37.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.48 179.81 17.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.53 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -79.8 -15.35 12.08 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.71 2.273 . . . . 0.0 112.999 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.412 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 35.4 t -93.85 18.62 10.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.672 0.272 . . . . 0.0 111.523 -179.593 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.2 p -138.95 166.48 24.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.759 0.314 . . . . 0.0 110.733 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.34 46.33 1.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.054 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.1 mm100 69.12 7.91 6.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.646 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -151.12 -46.57 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.725 0.297 . . . . 0.0 110.935 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -143.21 158.04 43.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.678 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.403 HD23 ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -44.3 154.67 0.11 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.175 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.7 mttm -89.6 172.15 7.69 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.696 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo -51.01 131.94 36.46 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.481 2.121 . . . . 0.0 112.283 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.37 108.46 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.19 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 136.55 -10.84 4.04 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.732 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.74 174.85 0.42 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.816 0.341 . . . . 0.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.93 154.28 24.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.96 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.0 t -125.65 89.82 3.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER 62.45 117.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.9 mtp180 -144.7 93.08 2.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.2 t -94.42 -36.43 11.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.987 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.7 m -178.76 -39.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.923 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.4 p -113.31 -34.48 2.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.16 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -64.77 81.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.7 p -99.81 79.99 2.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.406 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 12.1 m170 -104.78 -178.36 3.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -156.55 165.55 35.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.3 m -103.68 122.46 45.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.4 t -73.32 -6.57 46.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.338 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 63.87 19.72 63.56 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.897 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.3 ppt_? -114.65 -30.99 6.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.785 0.326 . . . . 0.0 110.991 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.7 m -155.75 148.17 23.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.592 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.412 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 18.0 t -73.43 -19.66 60.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.185 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -57.88 89.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.842 0.353 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.86 109.45 1.72 Allowed Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.13 174.19 0.1 OUTLIER 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.418 2.078 . . . . 0.0 112.351 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.4 m -94.95 -31.69 13.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -74.41 149.59 86.67 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.406 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 55.6 Cg_endo -70.1 -27.06 25.31 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.553 2.169 . . . . 0.0 112.332 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.092 0 CA-C-O 118.443 -1.198 . . . . 0.0 112.54 -179.975 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.422 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.857 0.36 . . . . 0.0 110.86 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.7 p -87.33 173.89 8.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.82 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.67 136.94 36.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.043 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.89 166.17 13.13 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.457 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.53 61.12 6.0 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.611 2.208 . . . . 0.0 112.648 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -179.04 43.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.928 179.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -168.14 131.28 1.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.87 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.1 ttt85 -60.23 106.48 0.53 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.417 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 67.72 -73.08 0.09 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.948 0.404 . . . . 0.0 110.136 -179.297 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.422 ' HB2' ' HB3' ' A' ' 4' ' ' CYS . 14.1 p -156.05 29.53 0.35 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.735 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -126.31 127.48 45.62 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.952 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.3 mt -44.69 116.68 1.11 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.389 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.11 155.89 23.04 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.689 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -58.58 130.38 36.94 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.567 2.178 . . . . 0.0 112.257 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.1 113.01 0.89 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.7 26.74 4.06 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.441 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.2 m -125.66 119.1 27.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.803 0.335 . . . . 0.0 110.766 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.68 156.42 10.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.991 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.9 p -103.81 -43.96 5.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.954 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -94.63 -43.3 8.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? 57.45 79.82 0.18 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.962 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.6 -173.54 3.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.8 m -79.35 -31.33 42.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -102.09 -30.63 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.11 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -93.93 106.04 18.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.7 m -116.73 31.54 6.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.406 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 34.2 m-70 -60.9 -172.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.406 ' CD1' ' O ' ' A' ' 30' ' ' HIS . 27.2 m-85 -164.73 154.95 14.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.47 132.03 35.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.753 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.9 p -94.57 17.31 13.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 48.54 27.22 5.78 Favored Glycine 0 C--N 1.332 0.347 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.805 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -120.94 -41.67 2.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.887 0.375 . . . . 0.0 111.015 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.1 m -140.69 148.35 40.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 84.1 m -72.48 -20.94 61.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.001 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -72.95 101.63 3.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.77 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.45 146.51 63.53 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -53.11 177.64 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.487 2.125 . . . . 0.0 112.274 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.2 p -124.33 31.61 5.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.837 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -121.79 88.05 46.92 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo -51.79 106.04 0.13 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.559 2.173 . . . . 0.0 112.315 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.553 179.963 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.3 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.838 0.352 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 66.6 p -62.21 167.76 3.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.964 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.1 p -155.85 114.59 3.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.23 -166.3 39.41 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.565 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -78.07 -38.04 0.7 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.696 2.264 . . . . 0.0 112.732 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.81 -37.75 73.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.018 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 15' ' ' LEU . 30.7 p -99.06 152.14 20.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.708 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 mtt-85 -69.62 -88.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.936 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -133.36 -19.97 2.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.248 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.0 m -135.13 -27.93 1.2 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -179.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.46 164.23 30.89 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.02 0.438 . . . . 0.0 111.387 -179.497 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.432 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 3.4 pp -54.55 144.11 22.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.841 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -80.25 160.46 67.95 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.62 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_exo -51.32 136.47 47.06 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.535 2.157 . . . . 0.0 112.267 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.61 111.93 0.62 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.189 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.46 -8.22 4.65 Favored Glycine 0 CA--C 1.52 0.354 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.691 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.5 m -74.4 115.92 14.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.824 0.345 . . . . 0.0 110.706 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.57 153.27 43.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.063 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -92.31 -67.97 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.919 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.402 ' CE2' ' OG1' ' A' ' 25' ' ' THR . 18.4 t90 -96.4 -70.17 0.73 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 60.7 95.33 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.402 ' OG1' ' CE2' ' A' ' 23' ' ' TRP . 0.2 OUTLIER -107.0 -32.81 7.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -174.55 -77.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -93.73 -31.14 4.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.091 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -87.9 127.5 35.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.2 m -134.91 130.3 35.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.413 ' CE1' ' HG3' ' A' ' 43' ' ' PRO . 23.4 m-70 -105.35 78.39 1.37 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -63.78 141.28 58.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 11.8 t -86.92 133.6 33.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.812 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.0 t -76.59 -4.95 45.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.411 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 63.38 28.29 72.1 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.361 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 44.0 ttt-85 -105.38 -30.23 9.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.748 0.309 . . . . 0.0 110.927 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.1 p -166.68 163.91 16.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.939 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 18.3 t -72.38 -24.06 61.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.008 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.45 85.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.846 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.55 109.03 1.41 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.67 177.46 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.445 2.097 . . . . 0.0 112.322 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 m -118.03 36.79 4.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -114.49 87.56 14.26 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.413 ' HG3' ' CE1' ' A' ' 30' ' ' HIS . 53.8 Cg_exo -52.18 124.72 15.51 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.572 2.181 . . . . 0.0 112.272 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.081 0 CA-C-O 118.398 -1.223 . . . . 0.0 112.506 179.95 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.715 0.293 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.01 105.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.866 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.8 p -125.56 135.57 52.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.0 -162.13 26.91 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.579 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.0 -61.45 0.43 Allowed 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.642 2.228 . . . . 0.0 112.385 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.5 m -90.72 51.29 1.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.024 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -146.62 153.65 40.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.685 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 -95.71 33.99 1.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 69.32 9.82 7.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.414 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -179.38 -32.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.422 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.32 138.58 54.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.801 0.334 . . . . 0.0 110.891 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 33.6 mt -50.78 126.07 14.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.697 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.48 154.52 4.42 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.799 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -55.83 121.33 9.77 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.547 2.165 . . . . 0.0 112.239 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.47 119.86 2.6 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.307 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.403 ' O ' ' CD2' ' A' ' 31' ' ' TYR . . . 107.59 23.43 6.88 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.264 -179.651 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 86.8 m -106.45 113.72 27.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.828 0.346 . . . . 0.0 110.777 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 t -53.28 155.84 2.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.8 t -105.54 -38.27 6.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 21.0 t90 -141.4 90.22 2.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -113.97 158.61 20.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -161.74 -44.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -177.66 -39.42 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.969 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.2 p -111.25 -32.76 2.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.53 153.0 27.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.1 p -176.52 109.22 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 29.0 m-70 -130.45 81.17 1.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 19' ' ' GLY . 27.4 m-85 -59.21 116.67 4.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.2 m -66.82 173.49 3.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.0 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.95 7.36 29.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.337 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 56.95 28.18 57.65 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.581 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.6 mmt85 -103.88 -32.82 9.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.774 0.321 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.3 m -143.95 165.76 26.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.958 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 52.1 m -71.07 -30.52 66.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.79 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -67.25 172.37 4.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.8 p -144.86 90.14 6.39 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -68.76 177.68 4.66 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.549 2.166 . . . . 0.0 112.261 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.1 m -85.01 57.23 4.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -110.22 87.28 5.94 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.62 151.8 69.9 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.565 2.177 . . . . 0.0 112.354 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.407 -1.218 . . . . 0.0 112.542 179.985 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.528 0.097 0 CA-C-O 120.62 0.248 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.1 t 43.52 93.22 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.511 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 16.2 p -106.72 141.91 37.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.64 -176.78 39.7 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -55.0 -34.96 88.82 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.655 2.236 . . . . 0.0 112.431 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 m -91.24 11.5 23.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.39 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 55.9 m -132.41 136.77 47.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.841 0.353 . . . . 0.0 110.931 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 68.6 mtt-85 -59.24 -37.09 76.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.013 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 166.12 -29.26 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.317 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -152.39 26.93 0.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.055 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.6 tptt -171.41 146.11 2.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.815 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.1 mt -56.39 122.19 11.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -54.92 158.09 4.98 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.837 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_exo -51.28 122.57 10.33 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.52 2.147 . . . . 0.0 112.338 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -48.81 111.87 0.53 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.263 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.8 21.09 6.16 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.464 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.5 m -104.21 121.73 43.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.809 0.337 . . . . 0.0 110.742 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 t -54.56 123.99 14.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.104 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.8 p -107.42 -31.29 8.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.449 ' CE3' ' CG2' ' A' ' 25' ' ' THR . 0.2 OUTLIER -102.71 68.09 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.808 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.8 103.71 0.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.948 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.449 ' CG2' ' CE3' ' A' ' 23' ' ' TRP . 20.2 p -102.73 -15.31 16.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.214 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.9 t 65.44 43.51 3.41 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.914 0.388 . . . . 0.0 110.741 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.1 p -178.82 -37.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.189 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.49 -36.91 7.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.944 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.9 m 59.81 109.36 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.951 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.411 ' CG ' ' HB3' ' A' ' 23' ' ' TRP . 5.7 m170 -93.52 -177.03 4.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -154.64 116.33 4.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 9.7 t -75.6 160.56 29.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 t -99.21 4.24 46.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.433 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.36 25.99 20.99 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.707 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.1 ttm180 -116.15 -38.77 3.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.86 0.362 . . . . 0.0 110.967 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.0 t -138.99 152.39 47.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.961 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.08 -22.27 60.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.082 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -62.23 86.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.8 t -55.78 108.77 1.29 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.17 177.52 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.417 2.078 . . . . 0.0 112.339 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.7 m -128.97 41.87 3.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -113.81 88.87 14.82 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.918 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -51.62 164.25 0.99 Allowed 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.573 2.182 . . . . 0.0 112.347 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.385 -1.23 . . . . 0.0 112.509 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 65.0 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.835 0.35 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.7 m -77.11 63.6 2.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.667 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -49.28 104.81 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.22 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.43 171.76 35.29 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.373 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_exo -51.76 -24.63 18.61 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.592 2.195 . . . . 0.0 112.401 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -109.9 25.56 11.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.105 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -136.72 98.14 3.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.922 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -110.83 129.54 55.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.771 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 64.62 14.25 8.87 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.317 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.1 t 73.92 43.49 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.869 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.8 mmtt -139.68 110.66 6.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.392 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tt -45.85 105.45 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.025 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.5 mmtm -47.15 150.26 1.49 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.213 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.1 141.4 58.0 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.556 2.171 . . . . 0.0 112.433 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.27 148.78 35.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.401 ' O ' ' CD2' ' A' ' 31' ' ' TYR . . . 75.92 8.63 84.94 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.783 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.3 m -107.8 113.05 26.02 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.851 0.357 . . . . 0.0 110.805 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.3 t -57.04 152.43 13.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.032 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.1 p -99.06 -37.41 9.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 24.5 t90 -128.83 104.42 7.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -115.74 166.89 11.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.2 t -172.25 36.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m 60.77 36.79 19.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.3 p -178.32 -38.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 35.8 m -101.06 140.47 35.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.1 m -165.31 122.03 1.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -104.24 -32.33 9.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.401 ' CD2' ' O ' ' A' ' 19' ' ' GLY . 10.4 m-85 62.42 126.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.64 172.73 12.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.773 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.4 p -121.23 19.26 11.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.069 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 49.74 26.12 7.64 Favored Glycine 0 C--N 1.332 0.312 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.781 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -118.64 -38.29 3.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.842 0.353 . . . . 0.0 111.01 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -141.29 173.17 11.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 66.1 m -107.51 20.12 19.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.038 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -115.71 94.76 4.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.801 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.6 m -54.18 108.34 1.11 Allowed Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.056 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -52.09 177.62 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.469 2.112 . . . . 0.0 112.299 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.0 m -96.96 39.77 1.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -105.85 87.42 2.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.75 113.41 3.36 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.551 2.167 . . . . 0.0 112.328 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.088 0 CA-C-O 118.385 -1.231 . . . . 0.0 112.544 179.968 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.4 ' CB ' ' HA ' ' A' ' 13' ' ' CYS . 1.9 m . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.832 0.349 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 51.8 p -56.83 173.06 0.22 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.978 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.4 p -155.06 126.07 7.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.936 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.61 -176.16 27.54 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.518 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -73.78 -29.5 10.42 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.598 2.199 . . . . 0.0 112.536 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 35.2 t -93.87 46.64 1.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.966 0.412 . . . . 0.0 110.98 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.6 p -178.72 159.34 1.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.52 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -92.58 35.1 1.03 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.117 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 63.2 12.61 6.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.449 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.4 ' HA ' ' CB ' ' A' ' 4' ' ' CYS . 1.3 m -159.16 -38.54 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.625 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.5 mmmt -130.41 128.31 41.1 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.762 0.315 . . . . 0.0 110.762 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -45.95 129.75 9.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.618 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.8 mttt -56.65 166.32 1.34 Allowed Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.686 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -64.91 128.25 20.38 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.397 2.064 . . . . 0.0 112.315 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.69 101.48 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.072 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.48 -16.17 2.26 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.562 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -57.31 174.61 0.19 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.798 0.332 . . . . 0.0 110.748 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.418 HG21 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -118.55 146.52 44.51 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.2 t -104.01 -64.2 1.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -127.15 145.38 50.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.9 101.84 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.7 p -112.12 -35.14 5.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.4 p -178.3 -39.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.934 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.4 p -109.2 -32.84 2.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.166 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.5 m -85.81 157.69 20.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.31 78.5 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 15.1 m170 -89.65 143.44 26.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.418 ' CE2' HG21 ' A' ' 21' ' ' THR . 35.7 m-85 -119.32 162.92 17.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.951 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.2 m -92.36 122.92 35.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.761 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.8 t -81.84 2.77 28.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.219 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 54.85 22.36 26.53 Favored Glycine 0 C--N 1.332 0.35 0 C-N-CA 120.594 -0.813 . . . . 0.0 112.674 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.7 mtt85 -115.16 -35.62 4.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.831 0.348 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.6 m -150.04 141.13 23.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.615 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 48.1 t -70.7 -20.01 62.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.826 0.346 . . . . 0.0 110.832 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.11 98.86 0.82 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.751 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 36.0 m -54.53 108.19 1.08 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.063 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.37 177.32 5.43 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.447 2.098 . . . . 0.0 112.329 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.8 m -102.62 37.4 1.93 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -114.42 87.51 14.0 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.07 148.72 23.17 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.59 2.193 . . . . 0.0 112.306 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.082 0 CA-C-O 118.356 -1.247 . . . . 0.0 112.476 -180.0 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 56.6 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.884 0.373 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.9 p -66.91 99.72 0.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.83 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 71.5 p -71.55 130.14 40.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.026 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.99 164.28 12.61 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.489 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.57 -40.69 5.3 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.53 2.153 . . . . 0.0 112.346 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -58.81 -26.44 64.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.007 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 61.2 m -92.07 166.86 12.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.984 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.84 45.04 1.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.63 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 75.98 3.54 3.75 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.624 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 50.2 t -177.79 -38.07 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.606 0.241 . . . . 0.0 111.549 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.2 ttmt -122.72 137.35 54.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.881 0.372 . . . . 0.0 111.08 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.3 mt -48.07 123.87 6.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.056 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.8 mttm -59.07 157.44 21.54 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.747 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_exo -51.22 123.41 11.91 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.523 2.148 . . . . 0.0 112.309 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.2 111.63 0.43 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.278 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.27 17.85 6.51 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.559 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.9 m -114.57 114.39 25.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.754 0.311 . . . . 0.0 110.761 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.3 t -55.13 128.96 36.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 21.3 p -76.65 -34.62 58.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.929 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 24.4 t90 -131.51 107.2 8.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.0 ptt-85 -104.25 152.86 21.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.5 p -157.38 -77.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.93 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.3 p -176.95 -39.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.906 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.9 m -129.51 31.02 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.132 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.1 t -171.65 123.07 0.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.9 m -161.89 161.8 28.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 25.0 m-70 -149.65 107.99 3.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -59.55 135.23 57.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 9.0 t -82.52 141.63 32.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.846 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 73.8 p -86.2 0.87 52.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.344 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.39 23.9 14.85 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.841 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.4 ptt85 -120.93 -31.61 4.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.646 0.26 . . . . 0.0 111.226 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.2 t -140.97 149.69 42.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.779 0.323 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.2 -23.02 61.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.14 86.44 1.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.883 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.5 t -57.71 109.69 1.96 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.54 171.18 0.22 Allowed 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.389 2.06 . . . . 0.0 112.289 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.1 t -107.73 34.19 3.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -105.98 87.28 2.33 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.01 177.09 6.11 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.573 2.182 . . . . 0.0 112.311 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.417 -1.213 . . . . 0.0 112.462 -179.959 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.3 m . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.729 0.299 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.9 p 58.08 109.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.0 p -98.94 151.73 20.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.03 -176.17 32.8 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.499 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.77 -28.25 20.66 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.601 2.2 . . . . 0.0 112.349 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -94.88 45.67 1.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.4 p -177.96 119.79 0.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.757 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.32 -91.5 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.164 -179.636 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -119.56 -20.89 7.58 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.549 0.214 . . . . 0.0 111.255 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.1 t -176.92 37.04 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.73 0.3 . . . . 0.0 110.992 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -153.93 136.65 15.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.81 0.338 . . . . 0.0 110.871 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 68.4 mt -54.37 121.38 8.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.763 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.5 mttt -49.63 165.99 0.27 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.074 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.56 117.15 4.5 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.541 2.161 . . . . 0.0 112.29 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.17 122.29 15.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.065 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.8 28.9 4.03 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.481 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.3 t -121.45 175.0 6.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.884 0.373 . . . . 0.0 110.854 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.99 141.94 27.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.877 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 52.9 t -96.1 -70.74 0.7 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 25.0 t90 -126.71 89.83 3.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -78.99 118.38 20.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.917 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -111.57 -76.41 0.6 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.9 m -177.55 -39.55 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.3 p -112.32 -32.33 2.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.177 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.404 ' OG ' ' CD2' ' A' ' 30' ' ' HIS . 19.4 t -79.68 -78.64 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.9 m 60.23 101.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.404 ' CD2' ' OG ' ' A' ' 28' ' ' SER . 35.7 m170 -104.18 -177.77 3.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -146.54 161.2 40.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.2 t -107.22 127.17 53.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.3 t -86.75 5.7 35.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.313 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 53.13 35.98 50.83 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.634 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -115.03 -37.89 4.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.837 0.351 . . . . 0.0 111.031 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.8 166.52 31.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.924 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 84.6 m -71.34 -30.27 65.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -63.18 103.23 0.46 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.6 m -68.41 155.03 93.48 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.78 160.75 48.56 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.531 2.154 . . . . 0.0 112.325 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.3 m -131.12 33.09 4.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 26.2 p90 -137.85 154.87 74.9 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.11 108.59 2.18 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.592 2.194 . . . . 0.0 112.284 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.334 -1.259 . . . . 0.0 112.508 179.993 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 23.7 m . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.847 0.356 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -62.63 141.2 58.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.747 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 30.3 p -128.26 123.99 35.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.964 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.21 -169.49 41.96 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.52 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -78.43 -33.2 1.93 Allowed 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.73 2.287 . . . . 0.0 112.606 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -74.89 -26.91 59.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.128 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 26.2 p -112.5 134.45 54.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.748 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.4 mtm180 -59.34 -94.78 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.093 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -120.22 -22.0 6.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.666 0.269 . . . . 0.0 111.128 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 33.9 t -176.82 35.62 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.8 0.333 . . . . 0.0 111.051 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.6 tttp -163.35 126.19 2.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.761 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.78 115.18 1.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.814 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.9 mttt -49.23 156.44 1.02 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.031 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -51.95 134.42 48.82 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.504 2.136 . . . . 0.0 112.41 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.58 132.84 54.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.033 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.59 21.52 56.01 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.536 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 87.2 m -110.4 117.74 34.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 0.0 110.735 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -58.4 127.2 30.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.1 p -89.47 -40.63 12.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 35.5 t90 -134.42 140.06 46.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -149.55 146.92 27.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.4 m -160.56 38.37 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.3 m 60.84 29.93 19.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.3 p -125.68 -42.54 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.145 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.7 m -163.3 -176.47 4.8 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.8 m -133.5 118.31 18.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -105.36 85.33 2.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -73.75 134.8 43.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.7 t -78.51 140.45 38.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.6 p -91.76 9.95 30.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.3 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 50.65 26.13 10.05 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.676 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.5 ttt-85 -116.5 -36.22 4.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.809 0.338 . . . . 0.0 111.102 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -144.62 150.18 36.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.945 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 43.7 t -73.26 -19.3 61.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.063 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -74.32 85.99 1.96 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.867 0.365 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -57.67 109.62 1.91 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.959 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.95 177.38 0.06 OUTLIER 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.431 2.087 . . . . 0.0 112.255 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.4 m -111.76 31.71 5.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -68.92 149.57 97.83 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.27 155.64 63.78 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.53 2.153 . . . . 0.0 112.315 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.421 -1.21 . . . . 0.0 112.467 -179.999 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.866 0.365 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.44 112.76 6.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.2 p -83.06 128.85 34.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.13 175.81 34.52 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.527 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -42.55 3.34 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.599 2.2 . . . . 0.0 112.253 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.65 -26.85 64.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.999 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 54.7 m -93.12 166.11 12.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.8 ttt180 -92.93 48.12 1.33 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 72.11 8.06 5.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.492 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -160.15 -59.62 0.06 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.774 0.321 . . . . 0.0 111.067 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.52 157.53 31.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.007 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.61 131.24 45.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.927 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.2 mtmp? -66.82 166.03 21.84 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.944 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.2 142.45 67.33 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.61 2.207 . . . . 0.0 112.293 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.02 108.05 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.056 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.01 25.74 3.77 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.559 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 67.8 m -117.08 118.8 33.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.86 0.362 . . . . 0.0 110.826 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.2 t -62.48 128.5 36.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.984 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 29.4 p -85.72 -31.23 22.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.42 ' CE3' ' HA ' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -115.78 87.95 2.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.799 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -111.49 84.52 1.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.418 ' HB ' ' CZ3' ' A' ' 23' ' ' TRP . 4.2 t -120.88 35.26 4.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m 60.85 38.97 17.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.2 p -178.55 -38.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.162 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.5 m -86.85 147.84 25.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.944 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.1 m -161.08 101.45 1.25 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -110.17 -30.23 7.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.004 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 62.4 116.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.865 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.9 t -85.44 134.55 34.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.823 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.1 p -91.84 12.53 21.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.187 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.79 46.05 24.94 Favored Glycine 0 C--N 1.332 0.345 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.796 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -139.86 -46.42 0.44 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.878 0.37 . . . . 0.0 111.063 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 m -127.35 148.53 50.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.988 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.91 -19.01 60.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.151 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -81.1 95.58 6.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.791 0.329 . . . . 0.0 110.921 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.18 146.23 83.8 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.832 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.81 128.66 15.36 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.493 2.129 . . . . 0.0 112.302 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.6 p -63.13 -32.11 73.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -82.25 149.82 62.86 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.97 129.31 17.15 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.597 2.198 . . . . 0.0 112.264 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.384 -1.231 . . . . 0.0 112.536 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.4 m . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.788 0.328 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.8 m -67.11 76.18 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.804 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 36.4 p -52.59 114.59 1.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.38 169.69 40.62 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.53 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.39 -31.18 56.27 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.596 2.198 . . . . 0.0 112.492 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.8 t -97.57 29.78 3.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.001 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.406 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -130.09 109.05 10.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.621 179.927 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.424 ' O ' ' HB2' ' A' ' 12' ' ' GLN . 8.0 ttp180 -52.97 -30.15 33.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.242 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.424 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER 170.28 -31.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.869 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.6 t -175.52 33.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.986 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -156.93 110.2 2.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.495 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.34 107.91 0.11 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.945 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.2 mtmm -46.36 155.84 0.53 Allowed Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.231 -179.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo -51.88 136.59 51.8 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.582 2.188 . . . . 0.0 112.434 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.05 108.97 0.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.46 26.61 3.9 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.447 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 79.3 m -117.4 131.21 56.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.811 0.338 . . . . 0.0 110.761 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.05 147.01 40.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.2 p -97.62 -30.95 12.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.409 ' CZ2' ' HB ' ' A' ' 25' ' ' THR . 20.1 t90 -130.63 -73.96 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.93 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.1 ttp85 58.07 87.7 0.07 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.409 ' HB ' ' CZ2' ' A' ' 23' ' ' TRP . 4.7 t -83.49 -39.48 20.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.7 -39.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.867 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.0 t -120.23 -40.19 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.151 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.91 86.74 6.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.899 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.8 m -97.01 79.19 2.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.418 ' CE1' ' HA ' ' A' ' 43' ' ' PRO . 12.3 m-70 -73.09 98.95 2.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.961 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -74.62 159.19 32.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.9 m -98.72 154.59 17.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.9 t -108.17 13.89 25.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 49.46 26.69 7.42 Favored Glycine 0 C--N 1.333 0.364 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.724 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -105.27 -31.18 9.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 0.0 110.98 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.47 172.23 15.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.406 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 1.8 m -95.24 10.31 36.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.184 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -117.18 115.19 24.85 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.81 0.338 . . . . 0.0 110.811 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.81 147.08 73.49 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.966 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.37 177.68 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.549 2.166 . . . . 0.0 112.28 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.1 m -106.57 31.46 5.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -161.45 157.27 21.35 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.418 ' HA ' ' CE1' ' A' ' 30' ' ' HIS . 54.4 Cg_endo -69.58 165.61 30.17 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.592 2.194 . . . . 0.0 112.261 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.363 -1.243 . . . . 0.0 112.48 179.993 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.3 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.748 0.308 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 62.47 63.39 1.03 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.987 0.422 . . . . 0.0 110.768 -179.947 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.78 138.38 58.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.948 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.92 -170.25 42.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -69.4 -28.25 27.19 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.621 2.214 . . . . 0.0 112.304 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 46.7 m -98.52 33.73 2.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -148.75 164.31 34.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.862 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -178.09 128.04 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.748 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 63.17 15.65 8.73 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.218 -179.866 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.7 t 76.95 39.22 0.22 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.79 -179.71 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.59 122.44 11.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.559 179.86 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -47.73 114.92 0.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.082 -179.837 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.9 mttt -53.62 164.59 0.84 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.942 -179.876 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -64.97 139.19 60.52 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.539 2.159 . . . . 0.0 112.365 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.5 122.58 13.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.915 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.32 22.61 8.54 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.519 -179.928 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 76.2 m -91.11 120.28 31.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.827 0.346 . . . . 0.0 110.807 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.23 135.05 53.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.918 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 28.2 p -107.01 -31.92 8.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -153.28 78.37 1.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -93.01 145.98 23.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -141.77 -174.99 4.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.905 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.22 -30.8 63.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.3 t -106.4 -32.54 2.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.217 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.01 169.75 8.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -174.67 98.46 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.445 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.3 m-70 -102.46 142.66 33.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.962 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -125.54 156.17 39.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.7 t -88.57 165.31 14.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.967 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.7 t -109.22 8.35 25.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.364 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 54.02 24.78 29.01 Favored Glycine 0 C--N 1.332 0.306 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.753 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.1 ttp85 -112.2 -35.98 5.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.832 0.348 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 m -129.11 172.74 11.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.761 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 35.4 m -110.55 22.55 15.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.946 179.89 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -131.11 92.21 3.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.753 179.787 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.4 t -53.12 107.69 0.91 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.078 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.42 ' HB2' ' CD2' ' A' ' 42' ' ' TYR . 55.1 Cg_endo -69.76 177.54 5.48 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.469 2.113 . . . . 0.0 112.277 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.5 p -94.41 46.48 1.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.42 ' CD2' ' HB2' ' A' ' 40' ' ' PRO . 17.5 m-85 -114.1 88.32 14.63 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -51.91 131.44 38.42 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.55 2.167 . . . . 0.0 112.328 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.39 -1.228 . . . . 0.0 112.496 -180.0 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 67.9 m . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.91 0.386 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.7 p -141.55 112.95 7.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.824 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.7 p -101.7 108.4 19.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.62 -157.55 21.33 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.529 -179.787 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -83.44 -43.58 0.07 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.766 2.311 . . . . 0.0 112.863 -179.713 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -92.92 46.03 1.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.948 0.404 . . . . 0.0 111.276 -179.538 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.0 p -170.11 120.45 0.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.969 0.414 . . . . 0.0 111.064 179.701 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 14' ' ' LYS . 43.7 mtp180 -58.71 -162.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.954 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.51 -27.09 35.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.603 -179.663 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -167.23 30.41 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -179.625 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 11' ' ' ARG . 21.3 mmtt -158.27 128.17 5.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.569 0.223 . . . . 0.0 110.648 179.743 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 pp -43.58 137.7 2.81 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.697 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -59.94 160.03 17.6 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.038 -179.072 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_exo -50.73 138.76 40.76 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.579 2.186 . . . . 0.0 112.417 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.75 105.69 0.4 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.033 179.893 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.404 ' O ' ' CD2' ' A' ' 31' ' ' TYR . . . 115.64 28.43 2.74 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.63 179.896 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.8 m -102.84 107.59 18.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.855 0.36 . . . . 0.0 110.852 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -47.15 117.03 1.57 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.333 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 28.3 t -69.84 -49.96 47.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 21.3 t90 -151.03 97.81 2.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.71 111.56 23.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.01 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 70.8 p -80.58 -77.94 0.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.772 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.5 m -162.02 29.29 0.12 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.005 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.3 p 179.74 -38.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.102 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 m -60.62 -79.86 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.971 -179.892 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.9 t 59.69 106.83 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.404 ' CG ' ' HA ' ' A' ' 43' ' ' PRO . 8.9 m-70 -125.32 93.56 3.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.404 ' CD2' ' O ' ' A' ' 19' ' ' GLY . 15.4 m-85 -63.48 142.83 58.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.6 158.82 34.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.016 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.0 t -96.6 2.26 52.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.165 179.811 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 53.31 29.07 36.93 Favored Glycine 0 C--N 1.332 0.347 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.65 -179.848 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -119.0 -41.83 2.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.892 0.377 . . . . 0.0 110.921 -179.915 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -151.38 158.8 44.21 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.7 t -72.67 -23.95 60.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.113 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -59.89 89.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.948 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 86.8 m -58.04 109.73 2.02 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.03 177.4 0.06 OUTLIER 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.399 2.066 . . . . 0.0 112.292 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.1 m -91.82 -31.5 15.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 28.5 p90 -83.72 151.74 61.92 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.404 ' HA ' ' CG ' ' A' ' 30' ' ' HIS . 55.5 Cg_endo -70.16 -177.5 2.03 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.542 2.161 . . . . 0.0 112.332 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.385 -1.231 . . . . 0.0 112.511 -179.981 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.88 0.371 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 76.8 p -67.56 76.15 0.18 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.2 p -91.92 109.55 20.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.22 -176.05 44.09 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.471 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.01 -27.61 25.05 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.521 2.147 . . . . 0.0 112.333 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 67.8 m -109.36 34.2 3.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.953 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.9 p -172.98 116.01 0.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.956 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -132.73 158.68 41.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.737 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 67.73 12.8 9.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.308 -179.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.8 t 75.97 38.62 0.34 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.851 -179.732 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -157.23 140.11 15.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.744 179.882 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.67 121.16 7.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.895 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.6 tttp -56.26 148.67 40.93 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.057 -179.937 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.23 142.05 57.45 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.581 2.187 . . . . 0.0 112.308 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.23 116.73 5.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.024 179.927 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.83 2.3 7.97 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.901 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.35 172.94 9.44 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.849 0.357 . . . . 0.0 110.774 179.911 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.418 HG21 ' CE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -107.0 165.92 10.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.027 -179.941 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -105.2 -70.83 0.76 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.1 t90 -137.1 -71.14 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.3 ttt180 59.97 107.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.894 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.7 m -105.46 -34.66 7.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.08 -39.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -112.2 -33.25 2.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.117 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.6 t -72.95 136.99 45.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 72.5 m -139.0 79.19 1.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -103.03 145.43 29.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.418 ' CE1' HG21 ' A' ' 21' ' ' THR . 21.9 m-85 -136.2 158.95 43.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 28.8 m -93.72 134.79 35.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.9 t -93.96 14.7 18.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.274 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 53.01 25.25 23.59 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.723 179.937 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -107.98 -35.0 6.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.889 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.8 t -161.35 165.65 28.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 82.8 m -71.34 -29.12 64.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -62.78 113.54 3.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.97 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.3 t -61.35 139.88 94.69 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.44 171.74 0.19 Allowed 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.469 2.113 . . . . 0.0 112.317 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.7 p -103.95 -32.8 9.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 22.5 p90 -100.35 154.78 37.01 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.97 168.96 20.34 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.578 2.185 . . . . 0.0 112.314 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.376 -1.236 . . . . 0.0 112.505 179.98 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 34.9 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.825 0.345 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.8 p -58.96 92.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -87.63 116.67 25.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.88 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.12 -179.52 48.88 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.477 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.04 -26.15 21.93 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.638 2.226 . . . . 0.0 112.394 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.6 t -89.06 5.49 44.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.445 -179.845 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.3 m -123.27 153.05 40.72 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.757 0.313 . . . . 0.0 110.77 179.891 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -86.25 -89.45 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.908 -179.856 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.31 -24.82 7.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.758 0.313 . . . . 0.0 110.98 179.901 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.3 t -178.87 36.01 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.027 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -161.74 137.21 7.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.825 179.95 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 mt -56.01 114.93 2.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.729 179.889 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.25 147.94 12.63 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.975 -179.849 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -52.65 143.0 48.31 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.58 2.187 . . . . 0.0 112.388 -179.926 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.99 127.16 30.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.05 179.916 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.43 -5.18 21.39 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.773 -179.92 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.3 m -80.76 112.43 18.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.814 0.34 . . . . 0.0 110.807 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.407 HG21 ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -65.41 147.41 53.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -179.944 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 34.4 m -91.56 -74.85 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.972 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 21.2 t90 -82.31 -36.4 27.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? 59.21 108.48 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -155.23 162.62 40.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.9 t -85.69 56.84 4.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.0 p -178.51 -38.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.156 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 92.3 p -133.6 84.61 2.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 t -79.44 82.89 5.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.414 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 12.3 m170 -72.36 93.59 1.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.987 179.936 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.407 ' CD1' HG21 ' A' ' 21' ' ' THR . 22.2 m-85 -85.69 155.97 20.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 179.944 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.2 m -94.74 135.76 35.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.5 p -95.55 12.79 28.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.011 179.855 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.8 28.44 3.78 Favored Glycine 0 C--N 1.333 0.374 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.88 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.3 mmt-85 -115.22 -35.59 4.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.791 0.329 . . . . 0.0 111.165 -179.799 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 m -133.21 152.9 51.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.979 -179.939 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -71.31 -24.12 62.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.953 179.838 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -94.78 125.48 39.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.794 179.884 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -58.81 146.52 75.22 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.98 -179.916 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.77 177.71 7.26 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.569 2.179 . . . . 0.0 112.346 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.4 m -101.78 33.77 2.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -105.48 88.24 2.58 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.414 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 52.5 Cg_endo -69.49 96.99 0.59 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.534 2.156 . . . . 0.0 112.296 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.385 -1.231 . . . . 0.0 112.509 -179.984 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 73.2 m . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.88 0.372 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.3 90.59 3.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.611 179.812 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -44.82 96.23 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.427 -179.71 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.17 -166.66 13.99 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.402 -179.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -74.95 -26.61 10.86 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.634 2.223 . . . . 0.0 112.601 -179.836 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -98.19 31.92 2.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.096 -179.836 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.4 m -159.37 110.6 2.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.622 179.793 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.71 -87.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.128 -179.681 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -121.49 -19.73 6.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.609 0.243 . . . . 0.0 111.318 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 176.58 36.85 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.022 -179.827 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.3 tptm -148.96 120.5 7.97 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.857 0.361 . . . . 0.0 110.907 -179.953 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.7 mt -47.95 115.96 1.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.777 179.788 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -47.12 144.39 4.11 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.966 -179.639 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -49.98 128.06 20.99 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.556 2.17 . . . . 0.0 112.498 -179.772 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.3 101.42 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.032 179.878 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 139.88 -14.61 3.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.463 -179.744 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.0 m -69.66 112.17 5.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.812 0.339 . . . . 0.0 110.659 179.869 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.57 142.65 50.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.976 -179.752 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -77.19 -57.38 3.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 18.4 t90 -106.7 -71.6 0.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.956 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.67 97.76 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.962 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.87 -34.04 12.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.0 p -178.31 -39.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.3 p -129.91 -44.02 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.138 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.2 t -66.03 104.25 1.1 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 73.2 m -131.37 115.72 16.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -77.04 -37.75 54.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 62.66 127.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -73.19 140.83 47.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.0 p -94.85 14.7 20.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.044 179.872 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.38 31.21 6.47 Favored Glycine 0 C--N 1.332 0.339 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.917 179.901 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 27.2 ttm-85 -144.91 19.3 1.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.621 0.248 . . . . 0.0 111.317 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.9 p -178.26 136.37 0.16 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.779 0.323 . . . . 0.0 110.812 179.882 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.8 m -78.91 -8.56 58.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.271 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -96.29 93.04 6.65 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.858 0.361 . . . . 0.0 110.823 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.4 p -57.47 109.59 1.87 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.53 176.75 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.433 2.089 . . . . 0.0 112.308 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -112.84 37.17 3.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -114.49 87.52 14.18 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.2 -176.69 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.548 2.166 . . . . 0.0 112.323 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.4 -1.222 . . . . 0.0 112.497 -179.958 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.463 0.191 0 CA-C-O 120.56 0.219 . . . . 0.0 111.538 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 58.08 106.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 0.0 110.954 179.863 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.3 p -110.91 125.26 53.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 179.873 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.6 -162.53 36.32 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.579 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -78.56 -41.66 0.25 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.724 2.283 . . . . 0.0 112.717 -179.765 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.404 ' CB ' ' HA ' ' A' ' 37' ' ' CYS . 3.4 m -85.6 54.69 3.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.919 0.39 . . . . 0.0 111.215 -179.745 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.2 p 179.49 129.47 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.702 179.69 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -55.17 -42.01 72.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.059 -179.755 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 165.65 -29.31 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.245 -179.923 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.6 m -138.62 10.92 2.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.65 -179.843 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -159.66 133.78 7.49 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.749 0.309 . . . . 0.0 110.66 179.887 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.9 pp -48.18 131.12 16.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.604 179.897 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.9 mttp -65.47 160.43 59.51 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.707 -179.61 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -64.37 137.22 54.66 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.517 2.144 . . . . 0.0 112.232 179.87 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.18 157.31 0.68 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.205 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.34 -16.45 61.06 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.678 -179.938 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -57.02 175.07 0.14 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.916 0.388 . . . . 0.0 110.859 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.69 132.7 51.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.0 t -95.78 -31.88 12.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -165.94 83.13 0.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -106.45 104.53 14.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.8 m -119.16 30.04 7.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.6 m 58.83 30.83 20.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.943 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -128.95 -44.56 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.24 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 97.1 p -114.79 -36.88 4.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.1 m 59.77 79.5 0.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.41 ' CE1' ' HA ' ' A' ' 43' ' ' PRO . 15.2 m170 -92.29 163.55 13.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -140.99 152.96 45.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 11.9 t -83.03 132.74 35.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.9 t -68.78 -12.17 61.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.23 179.872 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 59.74 29.77 67.91 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.4 -179.773 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -120.73 -38.32 2.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.822 0.344 . . . . 0.0 111.01 -179.853 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 m -155.48 159.59 39.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.719 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.404 ' HA ' ' CB ' ' A' ' 9' ' ' CYS . 4.4 t -72.74 -25.4 61.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.039 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -59.2 88.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.835 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.3 m -55.87 108.75 1.29 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.986 -179.891 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.27 177.55 5.81 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.427 2.084 . . . . 0.0 112.289 179.971 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.6 t -100.9 41.08 1.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -105.1 88.55 2.49 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.41 ' HA ' ' CE1' ' A' ' 30' ' ' HIS . 51.7 Cg_endo -69.12 115.17 3.87 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.571 2.18 . . . . 0.0 112.319 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.369 -1.239 . . . . 0.0 112.475 179.981 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.845 0.355 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 63.92 135.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.716 -179.851 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -123.33 134.69 54.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.912 -179.937 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.21 -162.89 34.61 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.427 -179.895 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -79.22 -43.83 0.14 Allowed 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.629 2.219 . . . . 0.0 112.6 -179.808 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -62.31 -27.83 69.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.227 -179.732 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.5 p -111.76 128.78 56.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.836 179.903 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.3 mtp85 -58.43 -91.04 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.186 -179.667 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -123.49 -19.18 5.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.576 0.227 . . . . 0.0 111.413 -179.786 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.1 m -171.36 29.37 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.696 -0.229 . . . . 0.0 111.466 -179.747 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.5 tttt -170.19 122.57 0.67 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.768 0.318 . . . . 0.0 110.84 179.911 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.85 115.65 1.23 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.713 179.818 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.7 mttm -46.75 164.05 0.23 Allowed Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 -179.599 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -56.24 138.33 82.96 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.598 2.199 . . . . 0.0 112.191 179.909 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.31 119.0 4.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.224 179.939 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.46 13.19 8.31 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.723 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.9 m -91.69 118.87 31.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.853 0.359 . . . . 0.0 110.766 179.926 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 t -50.66 139.36 16.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.19 -179.858 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 51.4 t -113.06 101.47 9.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 71.0 t90 60.54 95.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.81 127.56 55.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.1 p -92.15 -78.4 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.21 37.73 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.1 p -178.5 -38.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 179.919 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.8 p -80.16 -78.11 0.17 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.4 t 60.17 108.5 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.411 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 11.8 m170 -93.14 -168.76 2.0 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -152.57 112.49 3.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 14.7 t -66.04 143.72 57.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.819 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.9 t -90.66 10.47 25.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.354 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 50.17 28.41 13.2 Favored Glycine 0 C--N 1.332 0.341 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.726 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 -102.51 -35.71 8.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.835 0.35 . . . . 0.0 111.004 -179.833 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -166.74 171.8 11.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.947 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 6.7 t -74.81 -25.77 59.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.064 -179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -58.87 88.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.927 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 36.0 t -59.92 110.52 2.87 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.413 ' HB2' ' CE1' ' A' ' 42' ' ' TYR . 52.9 Cg_exo -52.68 177.22 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.433 2.089 . . . . 0.0 112.263 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -126.38 65.65 1.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.413 ' CE1' ' HB2' ' A' ' 40' ' ' PRO . 14.3 p90 -141.52 149.21 53.37 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.51 127.68 25.1 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.559 2.173 . . . . 0.0 112.286 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.512 179.963 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.839 0.352 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 47.1 p -63.58 109.68 1.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.9 m -117.44 155.63 29.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.94 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.74 -169.51 29.25 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.513 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.28 -37.1 6.19 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.609 2.206 . . . . 0.0 112.421 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -100.13 31.67 3.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.943 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 55.9 m -144.83 160.89 40.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.88 31.97 2.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.992 -179.9 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 69.96 9.34 7.07 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.492 179.941 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.4 m -164.14 -41.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.693 0.282 . . . . 0.0 111.245 -179.957 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.7 mttm -128.06 159.11 36.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.829 0.347 . . . . 0.0 110.997 -179.867 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 59.6 mt -59.07 132.64 54.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 179.884 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -59.07 149.46 66.74 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.743 179.913 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -51.53 121.95 9.41 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.524 2.149 . . . . 0.0 112.384 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.73 109.38 0.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.1 179.891 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.26 23.97 4.32 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.497 -179.74 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.1 m -100.81 127.46 47.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.785 0.326 . . . . 0.0 110.56 179.918 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -49.87 163.28 0.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.314 -179.645 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.0 t -154.13 -45.98 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.012 -179.887 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.422 ' O ' ' CD2' ' A' ' 30' ' ' HIS . 0.9 OUTLIER -175.72 -178.56 1.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.086 -179.83 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.421 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 0.0 OUTLIER 175.34 -33.64 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.832 179.852 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 75.21 48.66 0.09 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.807 -179.803 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 m -178.81 -72.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.741 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.8 p -123.94 -3.29 6.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.635 179.95 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.6 p 57.64 106.71 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.864 0.364 . . . . 0.0 111.014 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 40.4 t -176.66 36.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.225 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.422 ' CD2' ' O ' ' A' ' 23' ' ' TRP . 0.7 OUTLIER -65.38 -29.89 70.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.773 179.836 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 60.0 105.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.976 179.894 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.4 t -70.25 159.67 33.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 179.904 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.7 t -100.52 7.36 44.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.383 -179.904 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.2 36.01 9.64 Favored Glycine 0 C--N 1.333 0.41 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.784 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.7 mmm180 -108.17 -37.58 5.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.838 0.351 . . . . 0.0 111.121 -179.837 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.5 p -153.03 161.89 41.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.966 -179.922 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.1 m -70.82 -28.5 64.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.807 179.846 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -63.19 84.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.8 t -54.95 108.27 1.11 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.96 -179.899 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.23 177.63 6.37 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.436 2.091 . . . . 0.0 112.327 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.6 m -108.88 54.84 0.65 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -105.68 87.62 2.36 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.937 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.412 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 54.2 Cg_endo -69.73 125.62 12.38 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.567 2.178 . . . . 0.0 112.279 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.414 -1.215 . . . . 0.0 112.461 179.998 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 CA--C 1.529 0.156 0 CA-C-O 120.56 0.219 . . . . 0.0 111.343 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.8 p 49.47 71.47 0.38 Allowed 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.834 0.35 . . . . 0.0 111.07 -179.888 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.92 153.67 24.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.873 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.71 -164.74 30.4 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.521 -179.875 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -76.03 -45.19 0.23 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.625 2.217 . . . . 0.0 112.645 -179.88 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -95.05 52.46 1.45 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.051 -179.815 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.7 m -132.9 145.83 51.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.826 179.915 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.04 74.43 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.799 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 68.98 -68.28 0.19 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.005 -179.919 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.7 t -144.59 30.29 1.22 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.4 mptt -152.4 130.12 11.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.795 179.957 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.02 121.61 5.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.933 179.907 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.0 155.3 3.26 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.955 -179.733 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -65.1 144.84 83.25 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.595 2.196 . . . . 0.0 112.385 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.12 165.63 1.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.011 179.889 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.404 ' O ' ' CD2' ' A' ' 31' ' ' TYR . . . 61.78 17.77 55.18 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.631 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.0 m -110.57 111.76 23.21 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.839 0.352 . . . . 0.0 110.853 179.897 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 t -56.79 167.37 0.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 -179.923 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 90.8 m -107.59 -42.13 4.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.414 ' CZ3' HG22 ' A' ' 25' ' ' THR . 31.9 t90 -129.1 83.85 2.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.951 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.5 ptt180 -60.96 136.57 58.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.414 HG22 ' CZ3' ' A' ' 23' ' ' TRP . 2.5 t -171.44 161.76 6.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -88.66 54.08 2.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -152.08 -45.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 179.949 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.8 t -166.96 136.17 2.85 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.0 p -116.93 149.46 40.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 23.0 m-70 -128.26 80.1 1.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.404 ' CD2' ' O ' ' A' ' 19' ' ' GLY . 27.6 m-85 -60.1 132.24 53.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.3 m -76.22 173.13 11.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.904 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.3 p -116.7 14.4 15.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.225 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.24 24.41 15.73 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.737 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 42.5 mtm-85 -114.41 -33.17 5.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.73 0.3 . . . . 0.0 110.986 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 m -142.05 156.47 45.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.1 m -70.38 -26.81 63.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.762 179.879 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -69.33 157.74 36.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 179.933 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.54 93.06 30.99 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -67.64 178.19 3.48 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.495 2.13 . . . . 0.0 112.246 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.6 m -84.55 57.18 4.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -123.71 76.91 56.46 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.79 -27.09 26.77 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.592 2.195 . . . . 0.0 112.357 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.402 -1.221 . . . . 0.0 112.494 -179.969 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 39.6 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.811 0.339 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.1 t -72.64 64.48 0.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.748 179.854 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.66 108.47 0.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.004 -179.845 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.63 -162.85 13.49 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.47 179.958 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.0 -33.46 3.63 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.623 2.215 . . . . 0.0 112.563 -179.8 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.0 t -102.22 29.88 4.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.256 -179.809 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.9 m -146.65 109.11 4.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.971 179.907 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.8 ttt85 -119.78 139.22 52.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.728 179.844 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 64.4 14.64 8.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.327 -179.927 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 23.5 t 72.58 50.31 0.18 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.844 -179.833 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -148.02 109.56 4.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.57 179.789 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 mt -45.05 104.0 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.007 -179.95 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt -46.88 149.65 1.49 Allowed Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.122 -179.689 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -65.55 143.83 76.77 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.517 2.145 . . . . 0.0 112.345 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.01 154.99 4.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.139 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.408 ' O ' ' CD1' ' A' ' 31' ' ' TYR . . . 86.39 -6.3 82.37 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.731 -179.819 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.4 m -93.01 113.85 26.24 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.831 0.348 . . . . 0.0 110.845 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 t -58.96 168.32 1.33 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.973 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.9 p -153.79 31.58 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.414 ' CH2' HG22 ' A' ' 27' ' ' VAL . 21.5 t90 -174.19 85.38 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -104.35 123.37 47.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.959 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.7 m -155.89 30.94 0.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.6 m 59.6 29.99 19.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.414 HG22 ' CH2' ' A' ' 23' ' ' TRP . 6.9 m -116.42 -37.48 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.187 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.0 t -177.25 -169.75 0.25 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.941 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.4 86.72 2.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -77.36 80.72 3.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.408 ' CD1' ' O ' ' A' ' 19' ' ' GLY . 31.4 m-85 -65.18 141.01 58.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 14.8 m -76.19 166.14 23.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.4 p -109.33 11.15 25.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.234 179.911 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 51.47 50.43 41.72 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.752 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.2 mtp85 -151.02 -46.18 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.867 0.365 . . . . 0.0 111.061 -179.922 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 40.3 t -135.08 152.83 52.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.948 -179.943 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.71 -24.94 62.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.841 179.917 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -59.06 105.71 0.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.97 -179.93 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 84.6 m -63.07 111.58 5.2 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.4 159.77 4.14 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.397 2.065 . . . . 0.0 112.305 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.1 m -99.37 31.94 2.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -148.73 152.26 37.17 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.06 137.85 35.53 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.516 2.144 . . . . 0.0 112.327 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.394 -1.226 . . . . 0.0 112.517 -179.991 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.8 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.834 0.35 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 m -70.31 103.42 2.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.09 157.8 21.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.93 -169.27 25.35 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.511 -179.88 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -74.48 -45.11 0.34 Allowed 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.649 2.232 . . . . 0.0 112.516 -179.865 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 50.6 t -86.63 57.81 4.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.963 0.411 . . . . 0.0 111.004 -179.849 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.0 m -136.21 134.53 38.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.63 179.865 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -34.62 76.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 165.33 -30.24 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.085 -179.9 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -155.36 26.3 0.41 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.868 179.918 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -173.19 169.88 4.45 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.904 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.401 ' CD2' ' N ' ' A' ' 37' ' ' CYS . 67.3 mt -60.67 137.67 58.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.029 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.8 mttm -72.37 155.46 91.34 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.519 179.754 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -58.8 128.93 29.84 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.534 2.156 . . . . 0.0 112.176 179.924 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.24 116.72 2.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.287 -179.959 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.31 22.18 5.94 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.508 -179.854 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.8 m -112.55 115.92 29.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.844 0.354 . . . . 0.0 110.868 -179.976 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.7 t -59.76 145.74 44.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 71.6 m -84.74 -66.76 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.447 ' CZ3' ' CG2' ' A' ' 25' ' ' THR . 26.6 t90 -106.72 146.68 30.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.977 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.5 mtt180 -111.84 143.14 43.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.447 ' CG2' ' CZ3' ' A' ' 23' ' ' TRP . 1.8 t -176.77 162.9 2.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 t -90.96 51.18 1.91 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.85 -179.989 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -152.0 -45.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.164 179.992 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.3 m -156.16 179.99 8.7 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.945 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.8 t -150.72 146.5 26.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -109.24 81.24 1.41 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.981 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -67.53 112.24 4.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.4 t -72.58 146.69 46.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 179.966 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.3 t -95.41 13.18 26.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.356 -179.926 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.47 25.41 20.26 Favored Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.755 179.975 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.6 ttt85 -107.03 -34.27 7.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.815 0.34 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.6 p -146.43 151.23 37.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.401 ' N ' ' CD2' ' A' ' 15' ' ' LEU . 1.1 m -72.32 -22.47 61.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.957 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -81.93 102.37 10.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.823 179.924 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.3 m -59.03 149.41 66.63 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.972 -179.955 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.63 177.59 6.02 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.592 2.194 . . . . 0.0 112.34 179.944 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 86.6 p -88.62 -31.49 18.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 179.943 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 31.5 p90 -86.39 149.04 48.45 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.1 -62.07 0.39 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.572 2.181 . . . . 0.0 112.321 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.38 -1.233 . . . . 0.0 112.508 -179.986 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 79.3 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.839 0.352 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.4 ' CG2' ' CB ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -64.15 147.68 51.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.81 179.932 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.6 p -126.39 128.89 47.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.032 -179.859 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.6 -166.29 33.78 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.521 179.926 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -78.86 -44.79 0.13 Allowed 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.74 2.293 . . . . 0.0 112.811 -179.712 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -62.69 -33.47 75.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.076 -179.645 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.0 p -102.6 144.86 30.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.738 179.825 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.89 -81.92 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.811 -179.682 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -140.7 8.99 2.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.509 -179.92 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.2 t -176.63 -29.01 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -179.915 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.8 tttp -129.42 144.28 51.18 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.957 0.408 . . . . 0.0 111.183 -179.489 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.52 124.29 17.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.535 179.623 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.1 mttm -57.67 156.88 15.89 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.683 -179.797 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -55.24 141.69 80.22 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.524 2.149 . . . . 0.0 112.08 179.905 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.53 113.43 0.89 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.232 -179.97 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 138.56 -12.67 3.47 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.681 -179.902 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.6 m -70.81 117.32 12.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.831 0.348 . . . . 0.0 110.682 179.955 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.1 148.54 47.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.094 -179.783 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -83.64 -31.15 26.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -140.62 -66.59 0.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.1 ttt-85 60.93 107.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 39.9 p -149.99 36.43 0.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.818 -179.978 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.8 t 78.19 -56.38 0.48 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.068 -179.918 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -82.92 -30.86 8.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.133 -179.976 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 97.8 p -118.88 159.89 22.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.2 p -176.86 118.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.408 ' CE1' ' HA ' ' A' ' 43' ' ' PRO . 12.9 m-70 -126.03 90.86 3.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.963 179.989 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -67.64 147.34 52.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.96 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 9.7 t -82.62 134.42 35.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.2 t -72.19 -9.44 58.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.249 179.944 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.16 36.8 90.74 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.558 -0.83 . . . . 0.0 112.301 -179.846 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -118.43 -38.09 3.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.766 0.317 . . . . 0.0 111.025 -179.903 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.0 p -162.18 172.46 15.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.011 -179.941 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.4 ' CB ' ' CG2' ' A' ' 5' ' ' THR . 15.5 t -72.7 -20.62 61.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.075 179.905 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -62.02 88.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.81 179.995 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.56 145.61 76.16 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.02 163.81 1.95 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.53 2.153 . . . . 0.0 112.369 179.938 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.6 p -109.97 -30.81 7.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.916 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 27.3 p90 -84.43 161.28 54.69 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.408 ' HA ' ' CE1' ' A' ' 30' ' ' HIS . 52.9 Cg_exo -52.53 -175.04 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.563 2.176 . . . . 0.0 112.389 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.423 -1.21 . . . . 0.0 112.512 -179.982 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 CA--C 1.529 0.161 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.01 72.11 0.41 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.826 0.346 . . . . 0.0 111.015 179.919 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -87.13 150.25 24.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.818 -179.978 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.16 -166.42 28.5 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.617 -179.851 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_exo -66.15 -60.02 0.12 Allowed 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.887 2.391 . . . . 0.0 112.653 -179.667 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 98.1 m -82.91 56.79 3.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.935 0.398 . . . . 0.0 111.232 -179.582 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.9 m -134.26 162.82 31.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.761 179.797 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.0 ttt-85 -132.34 77.7 1.77 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.926 -179.947 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 69.99 -65.49 0.31 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.897 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.4 t -150.98 31.17 0.62 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.056 -179.738 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -156.77 145.94 20.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.85 128.74 34.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 179.964 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -57.4 159.93 7.95 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.942 -179.87 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.8 146.62 54.85 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.553 2.169 . . . . 0.0 112.374 179.98 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.07 103.44 2.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.024 179.87 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.64 31.53 1.34 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.634 179.971 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 m -98.43 172.3 7.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.768 0.318 . . . . 0.0 110.805 179.916 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.9 113.7 19.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.871 -179.967 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.5 p -90.18 -34.74 15.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 57.4 t90 -167.76 95.86 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.3 ptt85 -100.32 154.55 18.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -136.63 -177.08 4.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.14 -32.94 33.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 179.972 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.8 m -84.3 -32.37 8.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.096 179.957 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.4 t -146.56 -170.61 3.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -158.95 126.89 5.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 29.0 m170 -100.04 101.65 12.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -105.0 147.66 27.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.0 m -88.34 134.89 33.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.799 179.93 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.8 t -95.42 18.68 12.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.155 -179.984 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.01 24.84 15.55 Favored Glycine 0 CA--C 1.518 0.27 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.761 179.957 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -116.95 -37.76 3.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.787 0.327 . . . . 0.0 110.943 -179.915 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.9 m -142.69 151.82 41.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.3 m -72.44 -22.6 61.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.944 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -78.26 115.33 17.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.81 179.914 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.0 m -61.71 153.67 70.15 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.09 150.93 66.91 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.533 2.156 . . . . 0.0 112.327 179.95 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 95.4 p -98.47 35.53 1.78 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -180.0 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.412 ' CD1' ' N ' ' A' ' 42' ' ' TYR . 3.7 p90 -158.08 154.62 24.6 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.18 163.45 1.57 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.548 2.166 . . . . 0.0 112.295 179.987 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.027 0 CA-C-O 118.372 -1.238 . . . . 0.0 112.516 179.988 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 41.3 m . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.818 0.342 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.7 p -59.04 112.87 1.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.732 179.832 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -113.24 143.84 43.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.926 -179.985 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.03 -156.91 26.98 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.508 -179.908 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.13 -44.65 0.25 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.642 2.228 . . . . 0.0 112.59 -179.812 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.7 m -95.89 57.64 1.84 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.097 -179.831 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.404 ' HB3' ' HA ' ' A' ' 15' ' ' LEU . 0.5 OUTLIER -173.86 135.08 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.88 179.838 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -133.39 150.83 51.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.627 179.878 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 66.74 -74.79 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -166.95 30.39 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.17 -179.831 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -164.33 158.81 19.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.806 0.336 . . . . 0.0 110.941 179.957 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.404 ' HA ' ' HB3' ' A' ' 10' ' ' CYS . 4.0 pp -58.06 138.44 56.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.799 179.924 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.34 165.75 4.88 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.809 -179.884 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -65.23 143.16 76.41 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.557 2.171 . . . . 0.0 112.236 179.927 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.6 157.95 4.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.093 -179.989 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 62.03 24.17 64.66 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.566 -179.951 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 66.4 m -118.35 124.63 48.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.809 0.337 . . . . 0.0 110.833 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 t -57.38 146.33 29.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.0 -179.97 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.6 p -107.14 -40.62 5.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 -179.973 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 19.7 t90 -96.26 -70.83 0.7 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.978 179.978 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 61.15 155.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.922 179.985 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 15.3 p -156.71 -78.19 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.971 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.93 -39.27 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.919 179.943 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.1 p -104.33 -32.34 2.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.065 179.991 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.9 m -125.0 107.4 10.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 179.959 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.8 m -100.09 164.85 11.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.982 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -133.35 -176.29 4.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -153.65 125.28 7.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.8 t -83.76 154.05 23.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.8 t -94.57 1.64 55.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.357 179.995 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 55.32 39.24 71.5 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.608 -179.959 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -117.72 -37.13 3.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.789 0.328 . . . . 0.0 111.084 -179.856 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.1 t -161.46 173.91 14.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.951 -179.95 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 98.9 m -69.92 -28.39 65.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.809 179.903 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -62.17 84.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.9 t -63.14 134.14 95.7 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.826 179.961 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.73 172.71 13.05 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.47 2.113 . . . . 0.0 112.287 179.984 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.0 t -114.33 35.13 4.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -106.12 86.7 2.12 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 179.954 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.99 97.13 0.64 Allowed 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.564 2.176 . . . . 0.0 112.288 179.984 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.087 0 CA-C-O 118.404 -1.22 . . . . 0.0 112.477 179.972 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.87 0.367 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 63.94 135.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.791 -179.922 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.43 138.88 52.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.983 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.72 -165.61 33.61 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.527 -179.988 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.36 -25.87 21.19 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.649 2.233 . . . . 0.0 112.494 -179.943 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -97.93 29.71 3.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.056 -179.888 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 62.5 m -124.38 140.35 53.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.663 179.841 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.2 mtt-85 -84.66 -89.37 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.077 -179.782 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -119.13 -22.0 7.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.659 0.266 . . . . 0.0 111.222 -179.917 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 179.43 37.96 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.979 -179.882 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? -167.07 147.44 5.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.931 -179.954 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.54 118.59 5.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 179.93 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.4 mtmt -56.66 155.35 14.69 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.924 -179.915 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -68.7 145.72 64.34 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.567 2.178 . . . . 0.0 112.33 179.997 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.42 123.12 14.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.112 179.978 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.91 -25.43 5.83 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.493 -179.899 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.2 m -67.31 120.73 14.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.795 0.331 . . . . 0.0 110.874 179.963 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.413 HG21 ' CD2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -80.54 140.36 35.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.939 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 15.8 p -104.61 -42.51 5.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.957 -179.989 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -115.03 144.81 43.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -176.27 92.05 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.966 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.9 t -81.36 -36.95 29.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.5 t -178.53 -39.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.4 p -117.74 -37.4 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.135 -179.973 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 m -62.16 155.78 23.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.961 -179.977 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 p -167.42 110.73 0.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 32.1 m-70 -119.74 96.07 5.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.413 ' CD2' HG21 ' A' ' 21' ' ' THR . 40.1 m-85 -73.91 154.37 39.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 35.4 m -74.41 147.22 42.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 179.952 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 20.7 p -92.95 6.73 46.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.272 179.935 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 51.73 27.82 20.98 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.778 179.887 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -136.92 -45.47 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.907 0.384 . . . . 0.0 111.135 -179.968 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 m -123.31 140.51 52.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.7 t -76.27 -13.31 60.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.27 179.898 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -83.82 102.54 12.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.824 0.345 . . . . 0.0 110.82 179.965 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -58.57 148.47 65.98 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.47 177.41 6.09 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.576 2.184 . . . . 0.0 112.303 -179.96 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.4 t -105.34 -31.19 9.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.953 179.928 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 28.2 p90 -84.84 149.98 54.84 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 179.967 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.0 -178.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.569 2.18 . . . . 0.0 112.332 -179.971 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.378 -1.234 . . . . 0.0 112.542 179.993 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.835 0.35 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.66 107.64 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.736 179.839 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.15 172.19 7.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.34 165.3 14.11 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.456 -179.991 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -52.97 -25.57 28.54 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.59 2.193 . . . . 0.0 112.373 179.971 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.6 t -107.64 25.91 10.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.097 -179.893 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.7 m -158.88 109.21 2.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 -124.79 144.41 50.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.675 179.839 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 64.04 14.72 8.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.343 -179.843 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.1 m 71.7 48.08 0.32 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.922 -179.817 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -155.84 125.32 6.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.66 179.831 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -47.43 121.81 4.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.94 -179.906 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -49.58 151.62 2.82 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.067 -179.735 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.0 117.17 3.47 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.534 2.156 . . . . 0.0 112.374 -179.902 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.13 114.59 2.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.047 179.801 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.48 15.41 5.45 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.784 -179.926 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.8 t -114.04 173.93 6.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.632 0.253 . . . . 0.0 110.459 179.81 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.1 t -74.55 164.56 26.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.787 179.958 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.38 87.31 2.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.444 ' CH2' ' CG2' ' A' ' 25' ' ' THR . 1.0 OUTLIER 58.73 173.73 0.07 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.97 179.956 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -161.13 110.15 1.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.444 ' CG2' ' CH2' ' A' ' 23' ' ' TRP . 0.8 OUTLIER -122.49 29.92 6.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 -179.992 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 57.64 22.32 8.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.228 -179.977 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.7 p -177.97 36.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.901 0.381 . . . . 0.0 111.102 179.914 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m 176.72 72.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.741 179.96 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.2 p -107.03 126.83 52.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.967 -179.92 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 -138.83 -162.94 1.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.584 179.897 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -136.95 145.2 43.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.875 0.369 . . . . 0.0 111.153 -179.934 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.0 m -86.94 125.92 34.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.739 179.899 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.2 p -91.19 14.57 13.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.961 179.641 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.77 43.84 16.77 Favored Glycine 0 C--N 1.334 0.425 0 C-N-CA 120.894 -0.669 . . . . 0.0 112.83 179.963 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -139.42 -46.4 0.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 111.165 -179.806 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.7 m -131.54 148.43 52.62 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.025 -179.833 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.1 m -72.67 -20.55 61.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.098 179.882 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -77.59 107.93 10.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 89.9 m -57.46 109.68 1.93 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.5 177.37 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.401 2.067 . . . . 0.0 112.271 179.97 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.42 31.54 3.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.862 -179.974 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -108.18 80.18 1.05 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.92 174.4 9.7 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.617 2.211 . . . . 0.0 112.278 -179.977 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.406 -1.219 . . . . 0.0 112.51 179.994 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 19.6 m . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.823 0.344 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.72 63.5 1.31 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.742 -179.885 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.63 142.5 27.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.109 -179.849 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.76 178.23 37.95 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.402 -179.961 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -69.0 -28.08 29.31 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.579 2.186 . . . . 0.0 112.275 179.987 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 37.2 t -100.56 40.25 1.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.978 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.401 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -144.1 112.93 6.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.916 -179.927 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.94 76.12 0.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.685 179.836 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 70.5 -65.14 0.34 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.98 -179.849 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m -147.66 28.88 0.94 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -141.77 143.89 33.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.828 -179.947 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.62 113.82 2.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.968 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.92 132.79 83.39 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.762 179.948 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -50.57 140.18 36.8 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.461 2.107 . . . . 0.0 112.42 -179.914 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.17 148.11 23.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.959 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.96 -25.0 27.35 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.462 -179.888 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.4 m -69.0 109.39 3.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.841 0.353 . . . . 0.0 110.826 -179.993 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.4 HG21 ' CD1' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -77.51 133.76 38.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.841 -179.944 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 26.3 p -79.93 -41.05 26.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 -179.957 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.73 -69.57 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.967 179.958 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.01 80.61 0.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.876 179.937 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.6 p -105.49 -77.96 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 179.995 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 p -177.49 -39.41 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.932 179.935 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.0 p -90.08 -31.15 5.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.077 179.974 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.6 p -123.22 173.86 7.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 m -163.26 97.66 0.91 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -87.14 76.59 9.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.4 ' CD1' HG21 ' A' ' 21' ' ' THR . 38.6 m-85 -67.07 155.23 39.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.4 m -80.23 144.57 32.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.792 179.948 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.7 p -96.42 11.07 36.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.16 179.955 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.85 27.48 4.86 Favored Glycine 0 C--N 1.332 0.344 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.848 179.899 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 20.1 mtt-85 -128.81 -45.09 1.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.91 0.386 . . . . 0.0 111.022 -179.907 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 37.9 m -115.47 166.01 12.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.83 179.997 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.401 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 16.3 m -109.0 21.35 17.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.998 179.913 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -127.44 110.59 12.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.723 179.784 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.79 145.44 51.98 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.044 -179.843 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -52.85 174.8 0.1 OUTLIER 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.584 2.189 . . . . 0.0 112.331 179.979 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 92.8 p -106.81 -31.57 8.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.94 179.934 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -99.26 156.43 35.44 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.01 134.38 27.32 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.576 2.184 . . . . 0.0 112.31 -179.986 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.375 -1.236 . . . . 0.0 112.523 179.995 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 85.8 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.839 0.352 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -71.17 65.88 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.649 179.771 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -48.67 133.63 16.84 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.319 -179.748 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.05 -170.15 43.25 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.386 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -67.27 -43.14 6.53 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.538 2.159 . . . . 0.0 112.352 179.984 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.6 t -93.21 48.23 1.31 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.831 -179.994 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -144.72 117.53 8.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.734 -179.928 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.8 mmt180 -64.31 -87.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.837 -179.949 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -115.65 -25.93 7.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.803 0.335 . . . . 0.0 110.791 179.755 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 37.7 t -179.79 36.42 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.772 179.993 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -157.05 162.06 39.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.856 0.36 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.7 mt -70.5 118.94 13.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.759 179.905 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.5 mttm -53.87 165.48 0.75 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.705 179.957 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -49.9 123.5 10.87 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.465 2.11 . . . . 0.0 112.399 -179.889 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.35 108.48 0.2 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.145 179.945 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.24 26.45 4.6 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.223 -179.667 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.3 m -105.14 115.08 29.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.82 0.343 . . . . 0.0 110.835 -179.881 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 t -59.16 159.51 7.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.967 -179.999 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.2 p -120.35 -42.31 2.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 179.992 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -130.07 95.96 4.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.963 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -127.4 112.4 14.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.89 -31.86 9.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 m -176.31 -77.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.988 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.1 p -82.53 -32.54 10.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.042 -179.985 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.8 m -74.42 149.23 40.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.6 t -163.76 95.54 0.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.419 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 11.6 m170 -94.73 79.33 3.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.945 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -65.9 138.01 57.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.991 -179.958 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 14.0 t -80.29 158.98 25.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.83 179.882 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.5 t -106.95 14.42 26.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.272 -179.985 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.35 24.55 16.83 Favored Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.791 179.96 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.3 mtp85 -114.33 -37.82 4.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.886 0.374 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.0 m -129.57 160.55 32.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.704 179.894 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.4 m -95.58 11.68 32.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.048 179.865 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.7 mp0 -130.23 114.66 15.94 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.657 179.763 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 9.8 m -56.65 136.62 77.79 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.031 -179.819 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.51 177.91 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.411 2.074 . . . . 0.0 112.261 179.993 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.5 m -74.77 -30.85 61.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.917 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 21.1 p90 -96.43 156.86 36.33 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.966 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.419 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 56.4 Cg_endo -70.52 179.67 3.93 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.546 2.164 . . . . 0.0 112.342 179.983 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.347 -1.252 . . . . 0.0 112.537 -179.963 . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 57.5 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.803 0.335 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.2 t -82.05 71.83 9.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.526 179.715 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -45.89 127.34 8.08 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.499 -179.652 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.78 -166.99 31.32 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.308 179.997 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -73.99 -28.49 11.06 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.573 2.182 . . . . 0.0 112.281 179.991 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.95 30.67 4.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 179.879 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.61 111.19 17.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.632 179.978 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.92 -87.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.957 -179.812 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -119.02 -22.65 7.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.725 0.297 . . . . 0.0 111.107 179.977 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 176.2 36.38 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.851 -179.891 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.7 mttm -166.23 150.83 7.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.93 0.395 . . . . 0.0 111.045 -179.913 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.2 tp -56.71 123.54 15.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.976 179.905 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -62.78 162.01 24.62 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.308 179.435 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -52.46 127.76 25.3 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.396 2.064 . . . . 0.0 112.25 -179.981 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.18 145.59 5.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.069 179.847 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.413 ' O ' ' CD1' ' A' ' 31' ' ' TYR . . . 73.38 14.41 79.37 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.613 -179.834 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 94.3 m -101.12 110.04 22.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.864 0.364 . . . . 0.0 110.801 179.937 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 t -51.9 131.69 31.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.177 179.949 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 28.1 p -100.55 -30.9 11.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 3.9 t90 -93.68 -61.8 1.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.015 0.436 . . . . 0.0 110.864 179.916 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.8 ttm-85 62.39 119.78 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.951 179.958 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -170.0 178.16 4.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 t -98.59 30.26 3.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.949 179.966 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -113.4 -33.12 2.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 -179.941 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.8 t -178.39 -38.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.6 p 62.88 146.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.449 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.6 m-70 -119.87 -169.36 1.76 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.413 ' CD1' ' O ' ' A' ' 19' ' ' GLY . 15.1 m-85 -149.83 148.19 28.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.805 179.913 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.14 132.46 51.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.97 0.414 . . . . 0.0 110.741 179.999 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.8 t -75.55 -3.36 33.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.225 179.752 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 56.06 24.31 42.67 Favored Glycine 0 C--N 1.332 0.337 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.565 -179.707 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -126.55 -44.21 1.7 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.872 0.368 . . . . 0.0 111.103 -179.944 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.0 p -144.71 161.55 38.92 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.795 179.891 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 94.7 m -72.3 -22.94 61.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.942 179.99 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -74.34 99.3 3.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.701 179.834 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.3 m -58.69 144.45 80.15 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.001 -179.874 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.414 ' HB2' ' CD2' ' A' ' 42' ' ' TYR . 64.8 Cg_endo -73.71 177.79 7.6 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.61 2.207 . . . . 0.0 112.326 -179.984 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 95.6 p -107.17 31.25 5.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.948 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.414 ' CD2' ' HB2' ' A' ' 40' ' ' PRO . 14.7 m-85 -105.32 149.59 37.91 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.951 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.83 -26.58 27.09 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.55 2.167 . . . . 0.0 112.376 179.963 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.358 -1.245 . . . . 0.0 112.496 179.969 . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.555 ' CB ' ' HA ' ' A' ' 13' ' ' CYS . 1.5 p . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.842 0.353 . . . . 0.0 111.086 . . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.07 95.81 1.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.698 179.877 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.81 105.01 0.08 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.274 -179.858 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.18 -152.62 5.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.444 -179.965 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.33 -37.93 2.97 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.608 2.205 . . . . 0.0 112.356 -179.981 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -84.97 -28.72 25.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.047 -179.912 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 16.0 m -102.78 140.44 37.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.851 179.944 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.1 ttt85 -150.84 -55.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.223 -179.93 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -90.51 12.93 17.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.385 -179.88 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . 0.555 ' HA ' ' CB ' ' A' ' 4' ' ' CYS . 7.9 t 79.08 30.23 0.33 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.996 0.427 . . . . 0.0 110.704 -179.578 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.6 mmtt -146.11 106.0 3.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.057 179.564 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -40.47 113.31 0.35 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.287 -179.439 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -46.59 164.41 0.22 Allowed Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.199 -179.695 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -60.72 147.28 95.48 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.671 2.247 . . . . 0.0 112.367 -179.942 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.53 167.88 1.81 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.966 179.804 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 59.53 19.26 47.41 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.635 -179.893 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 93.6 m -102.83 103.67 13.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.845 0.355 . . . . 0.0 110.696 179.909 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.0 143.89 41.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.996 -179.912 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 33.6 m -84.44 -58.75 2.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -92.39 -79.01 0.4 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.97 83.76 0.12 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 179.99 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.8 p -115.18 -40.82 3.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.72 -38.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.949 179.966 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.8 t -111.89 -34.36 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.077 -179.986 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.99 146.52 27.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.4 t -165.36 78.27 0.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -102.68 102.47 12.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -76.05 143.65 41.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.3 m -83.59 145.64 28.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.952 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.0 p -103.33 22.71 13.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 179.836 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.04 27.39 22.14 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.69 -179.943 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -119.87 -69.87 0.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.94 0.4 . . . . 0.0 110.99 -179.936 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.2 t -101.82 146.53 27.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.832 -179.936 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.2 m -72.89 -17.89 61.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.021 179.947 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -92.54 111.38 22.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.818 0.342 . . . . 0.0 110.938 -179.975 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.6 m -61.61 110.28 2.99 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.808 179.985 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -68.59 176.99 5.16 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.46 2.106 . . . . 0.0 112.286 179.965 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.36 57.22 4.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.88 -179.997 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -116.18 81.54 10.53 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.26 157.59 6.38 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.52 2.147 . . . . 0.0 112.359 179.975 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.371 -1.238 . . . . 0.0 112.529 -179.977 . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 82.3 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.687 0.279 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.3 t 43.3 73.55 0.14 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.408 -179.922 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.7 p -58.47 129.45 42.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.953 -179.948 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.0 177.65 45.19 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.462 179.988 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -79.12 55.53 5.65 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.651 2.234 . . . . 0.0 112.508 -179.901 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -174.35 35.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.013 179.933 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.8 p -171.27 112.03 0.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.911 179.83 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.2 89.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.959 -179.958 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 68.71 -67.82 0.2 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.092 179.983 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 47.1 t -151.31 45.4 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.93 -179.89 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -147.39 119.5 8.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.761 179.87 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 35.7 mt -48.63 108.18 0.17 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.94 179.983 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.49 147.92 7.35 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.866 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -52.31 128.04 26.05 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.687 2.258 . . . . 0.0 112.198 179.955 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.75 116.87 2.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.266 -179.987 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.66 23.87 5.19 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.484 -179.924 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 69.5 m -110.95 123.01 49.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.793 0.33 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.79 154.56 18.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.9 p -123.07 -43.14 2.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.989 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 24.3 t90 -131.14 134.42 46.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.943 179.984 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -175.23 117.1 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 -179.998 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.2 t -106.55 -33.14 7.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.942 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 p -177.72 -39.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.932 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -110.47 -31.61 2.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.099 -179.987 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.9 t -74.6 149.32 40.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.5 t -173.54 103.35 0.12 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.439 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 2.7 m-70 -130.61 125.24 33.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.956 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -96.4 137.22 35.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.4 172.13 11.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.947 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.9 t -112.73 16.33 19.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.25 -179.977 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 53.57 24.6 25.09 Favored Glycine 0 C--N 1.332 0.325 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.766 179.944 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.1 mmm180 -111.09 -32.93 6.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.828 0.347 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.4 m -143.7 172.97 12.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.7 t -103.42 16.99 25.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.899 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -123.24 104.2 9.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.868 179.93 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.5 m -59.4 148.18 74.03 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.43 177.54 6.61 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.541 2.16 . . . . 0.0 112.336 -179.993 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.2 m -91.72 -31.6 15.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 28.9 p90 -79.19 154.26 77.17 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.41 ' HA ' ' CE1' ' A' ' 30' ' ' HIS . 53.8 Cg_exo -52.24 153.48 12.87 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.569 2.179 . . . . 0.0 112.281 -179.967 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.389 -1.228 . . . . 0.0 112.465 -179.962 . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.2 m . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.674 0.273 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.7 t 43.43 70.79 0.28 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.381 -179.939 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 48.1 p -53.76 113.02 1.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.113 -179.911 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.73 173.23 38.07 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.532 -179.957 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.78 -22.02 27.85 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.616 2.211 . . . . 0.0 112.554 -179.978 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.01 24.56 5.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.257 -179.89 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 81.1 m -137.22 145.89 44.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.814 179.908 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -82.98 -85.47 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.045 -179.884 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -114.31 -25.34 8.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.963 -179.995 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 178.13 38.38 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.973 -179.939 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -157.11 142.8 17.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.943 -179.978 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.54 115.25 2.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.809 179.987 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.7 mttt -55.55 159.9 4.39 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.0 -179.959 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -68.43 146.09 67.27 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.533 2.155 . . . . 0.0 112.324 179.995 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.82 146.45 21.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.114 179.927 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.02 -22.72 39.42 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.544 -179.916 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.0 m -67.71 106.82 2.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.854 0.359 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.418 HG22 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -68.0 138.46 55.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.811 -179.978 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.1 p -117.45 -40.34 3.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.409 ' HB3' ' CD2' ' A' ' 30' ' ' HIS . 0.1 OUTLIER -93.6 85.12 4.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.997 . . . . . . . . 3 3 . 1 . 042 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.1 mtt-85 -117.26 114.46 23.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.965 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.9 p -136.54 31.92 2.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.0 m 60.69 31.45 20.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 179.974 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -140.93 -46.33 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 179.993 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -140.83 -176.24 4.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 m -147.87 121.11 8.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.409 ' CD2' ' HB3' ' A' ' 23' ' ' TRP . 11.4 m170 -105.49 82.77 1.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.948 179.981 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.418 ' CE2' HG22 ' A' ' 21' ' ' THR . 22.1 m-85 -60.16 150.52 29.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.999 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -80.1 145.96 32.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.2 p -98.08 13.48 30.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.912 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 48.97 27.21 6.45 Favored Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.765 179.975 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -121.3 -69.22 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.963 0.411 . . . . 0.0 111.111 -179.874 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.7 m -117.37 150.24 39.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.953 -179.887 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.76 -21.11 61.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.009 179.972 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -65.5 102.32 0.69 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 66.5 m -60.13 149.76 73.63 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 179.96 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.04 177.47 5.73 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.581 2.187 . . . . 0.0 112.312 179.978 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 t -123.89 35.61 4.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -161.92 156.21 18.92 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.999 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.98 127.04 13.86 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.592 2.195 . . . . 0.0 112.261 -179.994 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.487 179.974 . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 CA--C 1.53 0.176 0 N-CA-C 111.595 0.22 . . . . 0.0 111.595 . . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 53.69 63.93 2.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.922 0.391 . . . . 0.0 110.88 -179.936 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.37 163.93 26.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.012 -179.859 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.16 179.64 24.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.426 -179.902 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -73.68 -26.96 13.2 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.55 2.167 . . . . 0.0 112.465 -179.938 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.0 t -111.8 68.15 0.66 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.001 0.429 . . . . 0.0 111.065 -179.913 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.6 m -135.29 -178.94 5.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.44 ' O ' ' CB ' ' A' ' 12' ' ' GLN . 5.9 ttt85 -129.52 43.32 3.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 179.991 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.44 ' CB ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER 87.0 -34.37 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.409 -179.991 . . . . . . . . 3 3 . 1 . 043 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.1 t -169.13 33.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.761 0.315 . . . . 0.0 110.963 179.976 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.1 ttpt -166.45 146.49 6.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.858 179.95 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.54 127.86 31.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.792 179.939 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.53 148.67 17.19 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.964 -179.904 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_exo -51.37 134.52 45.25 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.518 2.146 . . . . 0.0 112.342 -179.951 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.86 116.78 3.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.98 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.12 26.45 7.41 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.493 179.964 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.9 m -122.82 113.52 19.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.853 0.359 . . . . 0.0 110.838 -179.984 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 t -59.76 147.98 35.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 179.937 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 13.1 p -101.51 -32.36 10.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 8.3 t90 -131.12 110.13 10.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 179.973 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.01 141.05 51.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.36 35.04 0.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.972 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 60.32 34.14 20.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.952 -179.996 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.7 m -159.03 -44.69 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.206 179.998 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.0 p -127.05 120.42 28.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.6 p -131.56 110.35 10.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.432 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 4.6 m-70 -107.33 93.86 4.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -61.65 136.82 58.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.86 172.68 9.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 t -110.85 7.68 21.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.243 179.902 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 55.31 27.71 47.89 Favored Glycine 0 C--N 1.332 0.306 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.61 -179.966 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -124.51 -43.79 2.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.863 0.364 . . . . 0.0 111.038 -179.968 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.6 m -130.9 148.74 52.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.2 m -71.65 -22.02 61.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 179.92 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -79.85 108.38 13.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.7 m -59.77 147.17 79.33 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.31 177.58 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.565 2.176 . . . . 0.0 112.269 179.983 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.0 p -100.17 -31.29 11.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 54.6 p90 -87.66 160.41 47.45 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.414 ' HA ' ' CE1' ' A' ' 30' ' ' HIS . 53.4 Cg_exo -52.2 -176.9 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.61 2.207 . . . . 0.0 112.309 179.952 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.328 -1.262 . . . . 0.0 112.462 -179.998 . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 71.6 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.839 0.352 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.9 p -70.56 66.07 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.791 179.931 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -58.21 88.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.018 -179.93 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.28 -174.41 20.75 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 -179.977 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.3 -25.65 18.34 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.622 2.215 . . . . 0.0 112.426 -179.945 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 m -98.05 24.57 6.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.162 -179.876 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 33.2 m -145.07 150.02 36.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.785 179.872 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.97 126.52 36.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.027 -179.945 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 68.14 -68.9 0.16 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.11 179.907 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.8 t -175.62 36.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.927 -179.873 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -148.77 131.63 16.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.795 179.994 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.87 119.02 3.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 179.96 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -51.05 163.41 0.51 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.038 -179.853 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_endo -62.09 139.83 80.7 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.554 2.169 . . . . 0.0 112.288 179.996 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.79 115.49 3.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.043 179.974 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.01 24.95 5.29 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 -179.982 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.4 m -95.83 115.9 28.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.795 0.331 . . . . 0.0 110.827 -179.985 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.85 120.77 12.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 -179.993 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.1 p -113.66 31.21 6.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.973 179.968 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -176.86 85.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -97.17 140.65 31.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.8 p -145.16 -77.71 0.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.2 t -177.1 -39.6 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.929 179.973 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.3 p -99.07 -32.82 3.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.06 180.0 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.26 -169.15 1.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.966 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.42 -43.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.952 179.973 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.411 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 17.8 m-70 59.48 107.64 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.928 179.929 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -98.09 150.84 21.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.6 t -82.72 160.8 22.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.998 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.5 t -101.87 4.55 40.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.355 179.955 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 54.78 24.21 32.48 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.714 -179.947 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 32.6 ttt180 -117.05 -39.48 3.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.84 0.352 . . . . 0.0 110.916 -179.952 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.0 154.49 43.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.828 179.984 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.56 -24.84 62.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.926 179.983 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -63.02 97.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 60.7 m -57.92 109.71 1.99 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.93 -179.992 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -52.71 177.41 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.399 2.066 . . . . 0.0 112.307 179.955 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.9 p -108.28 39.66 1.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -105.45 87.94 2.4 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.411 ' HB3' ' CE1' ' A' ' 30' ' ' HIS . 52.3 Cg_endo -69.35 122.72 9.51 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.529 2.153 . . . . 0.0 112.325 179.968 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.332 -1.26 . . . . 0.0 112.526 -179.98 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.838 0.351 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 5.3 mtt -131.04 -74.46 0.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -61.68 106.01 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m -76.19 -30.97 58.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.71 89.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.781 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.42 152.74 20.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.61 -160.49 28.79 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.498 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.69 -44.24 0.3 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.692 2.261 . . . . 0.0 112.551 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -98.92 63.07 1.35 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.012 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.6 m -139.56 134.94 32.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 47.8 ttt180 -78.35 69.15 4.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.771 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 69.09 -67.54 0.21 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.054 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -136.21 34.79 2.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.876 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.6 mttm -158.62 173.13 17.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.0 mt -73.69 122.82 22.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.849 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? -60.81 138.89 93.58 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.692 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -62.51 143.78 93.6 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.503 2.135 . . . . 0.0 112.265 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.7 140.33 29.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.237 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.78 -13.13 29.72 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.675 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.8 m -75.86 117.26 17.41 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.831 0.348 . . . . 0.0 110.913 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.418 HG21 ' CD1' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -61.83 145.01 53.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.922 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.2 p -160.59 30.28 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 24.7 t-105 -177.7 66.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.719 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -124.22 111.32 15.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.3 p -125.73 -167.25 1.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.826 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.68 -30.12 65.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.981 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.9 t -133.17 31.39 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.083 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.76 154.52 40.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 97.1 p -176.62 89.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.957 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.409 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 45.2 m170 -116.75 -178.15 3.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.418 ' CD1' HG21 ' A' ' 21' ' ' THR . 32.6 m-85 -143.24 168.96 18.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -86.48 152.67 22.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.4 t -104.85 16.24 26.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.179 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.54 25.66 21.39 Favored Glycine 0 C--N 1.332 0.327 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.701 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.7 ttt180 -112.19 -34.4 5.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.804 0.335 . . . . 0.0 110.926 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 40.5 m -145.82 158.07 43.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.6 m -71.04 -26.91 63.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -77.82 138.13 38.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.958 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.08 136.34 82.16 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.26 161.22 46.8 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.46 2.106 . . . . 0.0 112.29 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.0 t -98.63 35.97 1.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -148.87 150.44 32.75 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.409 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 55.5 Cg_endo -70.01 164.63 34.08 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.555 2.17 . . . . 0.0 112.306 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.426 -1.208 . . . . 0.0 112.502 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.825 0.345 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -158.78 97.63 1.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 24.5 p-10 -91.25 51.84 2.0 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.826 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.1 m 66.82 9.46 6.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.561 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 58.0 89.43 0.05 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.819 0.342 . . . . 0.0 110.846 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.7 p -109.96 148.57 31.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.984 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.17 -166.43 32.08 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.391 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -84.53 43.97 1.42 Allowed 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.791 2.328 . . . . 0.0 112.735 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 18.4 t -177.07 36.59 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.879 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m -130.24 150.72 51.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.457 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.2 mtp180 -90.77 -90.84 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.956 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -119.69 -22.82 6.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.719 0.295 . . . . 0.0 111.012 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 37.2 t -177.79 36.65 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.759 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -167.06 148.1 5.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.926 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.51 121.66 10.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.874 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.28 150.95 50.67 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -65.38 148.74 88.42 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.592 2.195 . . . . 0.0 112.331 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.35 155.16 2.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.192 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.8 -20.73 47.31 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.537 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.3 m -70.75 112.57 7.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.843 0.354 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.46 135.83 38.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.808 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.9 p -106.16 -31.92 8.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -143.78 103.88 4.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -142.36 137.26 30.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.7 p -137.81 38.54 2.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 m 60.69 36.19 19.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.6 m -158.74 -44.84 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.8 m -133.8 78.99 1.8 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.1 m -71.2 134.53 46.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 20.3 m170 -119.9 80.28 1.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -68.68 159.82 31.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.1 m -92.01 143.67 26.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.6 p -96.56 9.96 39.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 50.47 25.95 9.31 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.803 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.1 mtt-85 -115.01 -36.2 4.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.873 0.368 . . . . 0.0 111.03 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.9 t -140.59 146.68 38.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.857 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.4 -20.52 61.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.92 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -92.52 116.15 28.74 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.817 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.3 m -59.87 148.74 75.61 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.57 176.02 7.96 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.581 2.188 . . . . 0.0 112.305 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.95 31.51 5.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 28.0 p90 -145.91 156.2 51.58 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.943 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.87 179.53 3.69 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.564 2.176 . . . . 0.0 112.255 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.421 -1.211 . . . . 0.0 112.514 -179.999 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.851 0.358 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 4.1 mtt -134.78 130.16 35.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -102.18 177.64 4.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.4 m -105.03 -33.91 8.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.402 ' CG2' ' CB ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER 60.59 77.46 0.32 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.813 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.9 117.47 6.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.61 -178.84 47.51 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.497 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -69.33 -35.24 14.29 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.633 2.222 . . . . 0.0 112.285 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 25.9 t -66.41 -15.16 63.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.284 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 79.6 m -110.48 145.92 36.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.721 0.296 . . . . 0.0 110.767 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -71.32 -87.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.06 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -117.59 -22.88 7.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.672 0.273 . . . . 0.0 111.112 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 179.75 37.18 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.992 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.09 144.91 8.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.93 117.28 4.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.8 mtpp -57.75 156.97 16.02 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_exo -51.92 144.71 35.1 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.57 2.18 . . . . 0.0 112.355 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.25 111.16 0.99 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.099 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 133.38 -8.12 5.02 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.745 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 32.2 m -70.05 111.1 5.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.858 0.361 . . . . 0.0 110.872 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.42 ' CG2' ' CZ ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -75.58 144.2 41.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.2 m -100.22 -74.64 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 19.7 t90 -109.19 79.53 1.23 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.9 ptt180 -75.98 126.57 31.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -148.54 -176.74 5.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.6 m -85.51 -31.48 22.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -93.46 -32.47 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.179 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.8 t -140.53 160.07 40.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.9 m -170.26 104.56 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.438 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 7.7 m170 -81.67 -178.93 7.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.42 ' CZ ' ' CG2' ' A' ' 21' ' ' THR . 8.8 m-85 -159.22 161.91 36.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 63.5 m -102.01 122.64 44.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.756 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.7 p -94.67 21.49 7.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.97 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 49.63 26.37 7.59 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.821 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.8 mtt180 -120.63 -41.55 2.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.876 0.369 . . . . 0.0 111.0 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.4 m -140.03 145.29 37.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.826 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.402 ' CB ' ' CG2' ' A' ' 5' ' ' THR . 0.8 OUTLIER -71.89 -20.5 61.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.965 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -74.4 91.17 2.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.808 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.4 m -55.82 108.96 1.35 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.002 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.402 ' O ' ' CG ' ' A' ' 30' ' ' HIS . 53.4 Cg_exo -52.43 170.87 0.23 Allowed 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.445 2.097 . . . . 0.0 112.295 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.1 t -114.92 69.92 0.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -121.14 87.6 44.22 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.01 116.25 2.67 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.597 2.198 . . . . 0.0 112.293 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.368 -1.24 . . . . 0.0 112.496 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.786 0.327 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.9 mtt -138.62 31.59 2.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.938 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -103.46 164.88 11.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -102.14 -26.46 13.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.805 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 65.97 106.28 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.972 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.15 146.87 29.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.82 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.16 -154.33 25.46 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.631 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -77.45 -45.43 0.16 Allowed 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.716 2.277 . . . . 0.0 112.752 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.7 t -94.8 55.67 1.91 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.968 0.413 . . . . 0.0 111.174 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.1 m -137.62 109.55 7.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.973 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.8 ttt-85 -73.34 98.95 2.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.493 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 70.97 -65.75 0.33 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.597 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -166.14 42.42 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.606 179.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -155.76 157.11 35.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.803 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.91 119.26 7.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.7 mmtp -59.28 159.12 16.67 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -66.07 144.45 75.82 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.52 2.147 . . . . 0.0 112.335 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.87 157.58 12.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.073 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 65.25 22.75 69.43 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.539 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.9 m -114.8 128.51 56.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.789 0.328 . . . . 0.0 110.829 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.79 144.18 49.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.9 p -125.62 -43.51 1.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 15.7 t90 -114.32 84.7 2.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -65.99 166.17 11.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -160.03 -176.97 5.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 m -74.49 -31.42 62.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.3 p -159.71 49.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.04 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -151.24 -78.11 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.0 m 60.26 110.46 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -87.7 150.63 23.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -108.62 162.68 13.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.93 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 m -111.92 169.39 8.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.422 HG21 ' CE2' ' A' ' 42' ' ' TYR . 6.5 p -118.77 16.28 13.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.207 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.39 24.94 18.42 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.684 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -116.08 -35.6 4.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.758 0.314 . . . . 0.0 111.06 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 m -139.51 153.48 47.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.044 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -71.62 -24.22 61.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.967 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -79.48 156.8 27.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.14 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.5 m -113.39 95.55 36.27 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.623 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -67.96 66.67 0.93 Allowed 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.471 2.114 . . . . 0.0 112.618 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 43.55 30.92 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.674 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.422 ' CE2' HG21 ' A' ' 33' ' ' THR . 0.1 OUTLIER -59.66 110.63 2.92 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.871 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.53 -176.28 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.403 2.069 . . . . 0.0 112.293 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.407 -1.218 . . . . 0.0 112.506 -179.93 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.298 0 CA-C-O 120.812 0.339 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 5.3 mtp -73.77 152.97 40.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -176.61 -55.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 57.3 m -154.18 110.84 3.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 62.3 p -72.24 105.91 4.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.778 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.85 154.79 18.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.014 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.34 -170.83 24.9 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.489 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.62 -38.45 5.9 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.563 2.175 . . . . 0.0 112.403 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -89.11 53.69 2.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.041 0.448 . . . . 0.0 110.85 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 179.17 127.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.718 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -61.21 -88.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.035 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -122.9 -19.64 6.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.629 0.252 . . . . 0.0 111.401 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.8 t -177.01 36.0 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.094 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -151.73 124.71 8.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.807 0.336 . . . . 0.0 110.768 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.3 mt -51.78 110.86 0.51 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.753 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.5 mttt -47.85 147.92 3.08 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.042 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.62 135.02 37.36 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.495 2.13 . . . . 0.0 112.448 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.01 119.28 6.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.99 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.45 17.78 7.44 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.551 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 86.7 m -113.68 113.97 25.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.792 0.329 . . . . 0.0 110.783 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.4 HG22 ' CE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -61.56 135.74 57.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.829 -179.878 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.5 p -108.83 -40.61 4.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.424 ' CD1' ' HB3' ' A' ' 28' ' ' SER . 16.3 t-105 -112.36 82.49 1.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.844 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -148.63 76.76 1.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.2 t -74.95 -33.06 61.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -177.23 -40.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -111.55 -31.65 2.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.1 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.424 ' HB3' ' CD1' ' A' ' 23' ' ' TRP . 31.5 m -73.58 173.87 9.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.404 ' O ' ' CD2' ' A' ' 30' ' ' HIS . 0.4 OUTLIER -176.62 124.21 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.94 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.404 ' CD2' ' O ' ' A' ' 29' ' ' SER . 35.6 m-70 -150.49 93.32 1.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.4 ' CE1' HG22 ' A' ' 21' ' ' THR . 4.3 m-85 -65.27 150.12 48.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 9.0 t -86.53 143.4 27.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.7 p -93.69 6.6 47.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.245 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.86 56.48 7.53 Favored Glycine 0 C--N 1.333 0.396 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.855 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 32.0 mtp85 -154.86 -45.82 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.904 0.383 . . . . 0.0 111.192 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 44.1 t -136.98 157.82 45.86 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.058 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 51.9 m -71.93 -25.97 62.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -66.29 93.96 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.834 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.91 156.33 26.3 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.95 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -51.96 148.65 22.7 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.63 2.22 . . . . 0.0 112.293 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 79.4 p -83.67 -31.57 26.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 20.9 p90 -104.26 151.04 39.01 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.18 126.93 21.83 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.561 2.174 . . . . 0.0 112.295 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.029 0 CA-C-O 118.443 -1.198 . . . . 0.0 112.51 -179.987 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.804 0.335 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 86.2 mtp -93.31 -41.5 9.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 60.39 162.8 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 65.4 m -63.31 108.78 1.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.7 m -78.33 69.23 4.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.71 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -48.34 116.49 1.58 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.305 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.86 179.33 44.39 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.357 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -69.22 -25.28 31.24 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.587 2.191 . . . . 0.0 112.389 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -100.28 30.19 3.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -127.54 159.52 34.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.754 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.8 mtp85 -120.17 80.54 1.62 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.711 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 70.96 -64.12 0.39 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -154.35 27.87 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.957 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.5 tttt -148.73 139.29 22.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.784 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 mt -54.19 122.43 10.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.8 151.8 30.34 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.866 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo -51.57 134.65 46.87 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.54 2.16 . . . . 0.0 112.397 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.87 116.71 3.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.87 25.65 7.47 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.586 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.4 m -111.33 111.38 22.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 0.0 110.864 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 t -54.58 155.07 4.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.027 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.7 p -107.25 -40.29 5.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.937 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.401 ' CE2' ' OG1' ' A' ' 25' ' ' THR . 18.0 t90 -98.78 -74.53 0.58 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 58.26 104.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.401 ' OG1' ' CE2' ' A' ' 23' ' ' TRP . 0.2 OUTLIER -112.76 -36.23 5.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.4 p -178.7 -39.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.899 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.4 p -153.68 45.19 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.008 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.402 ' O ' ' CD2' ' A' ' 30' ' ' HIS . 0.3 OUTLIER -142.18 33.71 1.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.92 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.5 m -66.25 85.56 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.402 ' CD2' ' O ' ' A' ' 28' ' ' SER . 36.1 m170 -60.18 -33.63 72.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 62.65 136.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.009 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.4 t -78.08 171.91 14.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.7 t -113.58 10.6 18.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.298 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 55.19 25.18 38.84 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.732 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.3 mtt-85 -109.82 -68.13 0.94 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.988 0.423 . . . . 0.0 110.802 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.7 t -109.46 172.49 6.82 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.756 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 66.7 m -105.67 19.07 21.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.052 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.32 83.59 1.86 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.677 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.0 t -48.76 105.75 0.54 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.224 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.89 177.95 5.15 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.436 2.09 . . . . 0.0 112.288 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.9 m -94.37 45.56 1.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -83.69 161.14 57.06 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.97 177.46 5.7 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.615 2.21 . . . . 0.0 112.315 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.365 -1.242 . . . . 0.0 112.496 179.952 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.86 0.362 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 8.8 mtt -101.62 -37.36 8.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 60.47 31.57 20.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.941 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.2 m -107.0 -10.81 15.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.319 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.3 t 43.48 88.52 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.904 0.383 . . . . 0.0 111.331 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -79.56 164.58 23.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.007 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.22 176.71 15.28 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.506 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.62 -25.4 20.85 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.581 2.187 . . . . 0.0 112.441 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -94.19 46.24 1.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.992 0.425 . . . . 0.0 110.96 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.2 m -126.19 163.52 22.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.736 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.42 ' O ' ' HB2' ' A' ' 12' ' ' GLN . 0.3 OUTLIER -92.66 -29.99 15.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.993 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.42 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 11.8 tm0? 170.88 -30.21 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.959 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -164.71 31.46 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.798 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.5 mttp -172.36 172.56 4.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.73 139.12 57.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.0 tttt -83.11 145.81 50.07 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.808 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.55 142.19 49.93 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.504 2.136 . . . . 0.0 112.33 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.52 109.31 0.87 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.077 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.64 23.28 4.77 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.63 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 21.5 m -108.14 115.07 29.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.819 0.342 . . . . 0.0 110.78 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.01 149.33 27.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.964 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 56.3 m -84.38 -45.59 12.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 29.2 t90 -154.53 81.08 1.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -68.88 133.58 48.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.9 t -162.84 33.59 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.6 t 78.17 -56.47 0.48 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.077 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 18.3 m -81.23 -32.16 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.113 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 t -107.56 146.68 31.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.9 m -173.46 79.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -106.43 97.58 7.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -73.29 137.3 44.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 94.0 m -71.25 155.63 40.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.7 p -102.78 14.55 31.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.195 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 50.03 26.04 8.3 Favored Glycine 0 C--N 1.333 0.373 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.798 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.8 tpp85 -118.15 -38.24 3.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.834 0.35 . . . . 0.0 111.049 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.1 m -141.59 172.59 12.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.829 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -102.56 16.47 26.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.098 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -110.65 107.37 16.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.54 147.88 67.97 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.947 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.48 177.11 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.539 2.159 . . . . 0.0 112.313 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.4 t -102.7 -32.02 10.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 18.4 p90 -98.12 161.1 26.62 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.18 144.21 39.25 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.561 2.174 . . . . 0.0 112.33 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.398 -1.223 . . . . 0.0 112.521 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.841 0.353 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 45.8 ttm 60.51 86.36 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.7 t70 60.34 162.22 0.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -177.17 -39.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.815 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 66.09 109.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.87 129.03 56.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.65 -168.89 41.47 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.474 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.43 -26.62 20.13 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.632 2.221 . . . . 0.0 112.39 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 36.9 t -98.74 10.45 41.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.426 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 94.0 m -116.19 143.31 45.67 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.85 0.357 . . . . 0.0 110.897 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.1 ttt85 -95.68 98.74 10.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.806 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 69.18 -68.34 0.19 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -159.44 37.27 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.693 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.5 tttm -152.05 145.6 24.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.83 121.69 11.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.3 mttt -57.17 156.28 14.83 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.956 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.53 145.17 75.68 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.578 2.185 . . . . 0.0 112.306 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.27 115.65 5.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.041 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.77 22.2 5.11 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.615 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.1 m -101.16 169.56 8.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.841 0.353 . . . . 0.0 110.77 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.58 170.2 12.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.8 t -151.59 -46.95 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.42 ' HB3' ' CD2' ' A' ' 30' ' ' HIS . 0.1 OUTLIER -131.1 92.03 3.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.6 mtp180 -93.88 135.44 35.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -168.96 -176.83 2.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.6 m -98.26 35.64 1.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -151.99 -45.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.157 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.6 m -131.96 169.45 16.29 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.5 t -151.37 95.58 2.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.42 ' CD2' ' HB3' ' A' ' 23' ' ' TRP . 13.3 m-70 -80.65 138.23 36.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -122.23 147.52 46.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.6 m -92.42 133.66 35.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.0 t -92.02 12.47 21.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.284 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 49.96 26.85 9.05 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.752 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.0 ttt-85 -102.77 -35.63 8.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.358 . . . . 0.0 110.95 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.6 m -160.82 167.92 25.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -72.14 -29.5 64.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.28 90.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.961 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.1 t -59.01 109.6 2.01 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.5 170.25 16.7 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.403 2.068 . . . . 0.0 112.326 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.6 t -115.18 70.15 0.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -114.93 86.33 13.25 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.17 112.75 0.94 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.576 2.184 . . . . 0.0 112.335 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.082 0 CA-C-O 118.414 -1.214 . . . . 0.0 112.484 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.839 0.352 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 6.5 mtt -132.56 176.55 8.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -94.14 116.57 29.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m 62.0 116.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.2 t -72.76 161.78 30.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.4 p -123.14 155.38 37.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.48 179.81 17.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.53 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -79.8 -15.35 12.08 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.71 2.273 . . . . 0.0 112.999 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.412 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 35.4 t -93.85 18.62 10.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.672 0.272 . . . . 0.0 111.523 -179.593 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.2 p -138.95 166.48 24.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.759 0.314 . . . . 0.0 110.733 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.34 46.33 1.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.054 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.1 mm100 69.12 7.91 6.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.646 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -151.12 -46.57 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.725 0.297 . . . . 0.0 110.935 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -143.21 158.04 43.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.678 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.403 HD23 ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -44.3 154.67 0.11 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.175 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.7 mttm -89.6 172.15 7.69 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.696 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo -51.01 131.94 36.46 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.481 2.121 . . . . 0.0 112.283 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.37 108.46 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.19 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 136.55 -10.84 4.04 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.732 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.74 174.85 0.42 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.816 0.341 . . . . 0.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -110.93 154.28 24.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.96 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.0 t -125.65 89.82 3.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER 62.45 117.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.9 mtp180 -144.7 93.08 2.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.2 t -94.42 -36.43 11.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.987 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.7 m -178.76 -39.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.923 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.4 p -113.31 -34.48 2.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.16 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -64.77 81.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.7 p -99.81 79.99 2.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.406 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 12.1 m170 -104.78 -178.36 3.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -156.55 165.55 35.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.3 m -103.68 122.46 45.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.4 t -73.32 -6.57 46.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.338 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 63.87 19.72 63.56 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.897 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.3 ppt_? -114.65 -30.99 6.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.785 0.326 . . . . 0.0 110.991 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.7 m -155.75 148.17 23.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.592 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.412 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 18.0 t -73.43 -19.66 60.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.185 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -57.88 89.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.842 0.353 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.86 109.45 1.72 Allowed Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.13 174.19 0.1 OUTLIER 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.418 2.078 . . . . 0.0 112.351 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.4 m -94.95 -31.69 13.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -74.41 149.59 86.67 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.406 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 55.6 Cg_endo -70.1 -27.06 25.31 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.553 2.169 . . . . 0.0 112.332 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.092 0 CA-C-O 118.443 -1.198 . . . . 0.0 112.54 -179.975 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.81 0.338 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.9 tpt -107.86 79.8 1.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.45 140.84 29.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.422 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 0.1 OUTLIER 63.15 122.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.7 p -87.33 173.89 8.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.82 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.67 136.94 36.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.043 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.89 166.17 13.13 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.457 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.53 61.12 6.0 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.611 2.208 . . . . 0.0 112.648 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -179.04 43.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.928 179.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -168.14 131.28 1.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.87 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.1 ttt85 -60.23 106.48 0.53 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.417 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 67.72 -73.08 0.09 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.948 0.404 . . . . 0.0 110.136 -179.297 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.422 ' HB2' ' HB3' ' A' ' 4' ' ' CYS . 14.1 p -156.05 29.53 0.35 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.735 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -126.31 127.48 45.62 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.952 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.3 mt -44.69 116.68 1.11 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.389 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.11 155.89 23.04 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.689 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -58.58 130.38 36.94 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.567 2.178 . . . . 0.0 112.257 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.1 113.01 0.89 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.7 26.74 4.06 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.441 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.2 m -125.66 119.1 27.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.803 0.335 . . . . 0.0 110.766 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.68 156.42 10.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.991 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.9 p -103.81 -43.96 5.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.954 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -94.63 -43.3 8.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? 57.45 79.82 0.18 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.962 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.6 -173.54 3.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.8 m -79.35 -31.33 42.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -102.09 -30.63 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.11 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -93.93 106.04 18.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.7 m -116.73 31.54 6.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.406 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 34.2 m-70 -60.9 -172.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.406 ' CD1' ' O ' ' A' ' 30' ' ' HIS . 27.2 m-85 -164.73 154.95 14.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.47 132.03 35.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.753 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.9 p -94.57 17.31 13.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 48.54 27.22 5.78 Favored Glycine 0 C--N 1.332 0.347 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.805 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -120.94 -41.67 2.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.887 0.375 . . . . 0.0 111.015 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.1 m -140.69 148.35 40.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 84.1 m -72.48 -20.94 61.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.001 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -72.95 101.63 3.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.77 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.45 146.51 63.53 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -53.11 177.64 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.487 2.125 . . . . 0.0 112.274 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.2 p -124.33 31.61 5.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.837 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -121.79 88.05 46.92 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo -51.79 106.04 0.13 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.559 2.173 . . . . 0.0 112.315 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.553 179.963 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.847 0.356 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 16.1 mtt -102.41 -35.33 8.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.24 172.12 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.3 m -102.56 112.57 25.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 66.6 p -62.21 167.76 3.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.964 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.1 p -155.85 114.59 3.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.23 -166.3 39.41 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.565 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -78.07 -38.04 0.7 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.696 2.264 . . . . 0.0 112.732 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.81 -37.75 73.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.018 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 15' ' ' LEU . 30.7 p -99.06 152.14 20.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.708 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 mtt-85 -69.62 -88.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.936 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -133.36 -19.97 2.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.248 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.0 m -135.13 -27.93 1.2 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -179.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.46 164.23 30.89 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.02 0.438 . . . . 0.0 111.387 -179.497 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.432 ' HA ' ' HA ' ' A' ' 10' ' ' CYS . 3.4 pp -54.55 144.11 22.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.841 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -80.25 160.46 67.95 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.62 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_exo -51.32 136.47 47.06 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.535 2.157 . . . . 0.0 112.267 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.61 111.93 0.62 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.189 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.46 -8.22 4.65 Favored Glycine 0 CA--C 1.52 0.354 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.691 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.5 m -74.4 115.92 14.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.824 0.345 . . . . 0.0 110.706 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.57 153.27 43.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.063 -179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -92.31 -67.97 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.919 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.402 ' CE2' ' OG1' ' A' ' 25' ' ' THR . 18.4 t90 -96.4 -70.17 0.73 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 60.7 95.33 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.402 ' OG1' ' CE2' ' A' ' 23' ' ' TRP . 0.2 OUTLIER -107.0 -32.81 7.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -174.55 -77.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -93.73 -31.14 4.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.091 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -87.9 127.5 35.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.2 m -134.91 130.3 35.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.413 ' CE1' ' HG3' ' A' ' 43' ' ' PRO . 23.4 m-70 -105.35 78.39 1.37 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -63.78 141.28 58.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 11.8 t -86.92 133.6 33.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.812 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.0 t -76.59 -4.95 45.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.411 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 63.38 28.29 72.1 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.361 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 44.0 ttt-85 -105.38 -30.23 9.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.748 0.309 . . . . 0.0 110.927 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.1 p -166.68 163.91 16.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.939 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 18.3 t -72.38 -24.06 61.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.008 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.45 85.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.846 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.55 109.03 1.41 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.67 177.46 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.445 2.097 . . . . 0.0 112.322 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 m -118.03 36.79 4.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -114.49 87.56 14.26 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.413 ' HG3' ' CE1' ' A' ' 30' ' ' HIS . 53.8 Cg_exo -52.18 124.72 15.51 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.572 2.181 . . . . 0.0 112.272 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.081 0 CA-C-O 118.398 -1.223 . . . . 0.0 112.506 179.95 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.809 0.338 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 4.3 tpt -172.03 154.93 3.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.7 t70 60.53 32.74 20.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.33 -28.7 16.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.01 105.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.866 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.8 p -125.56 135.57 52.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.0 -162.13 26.91 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.579 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.0 -61.45 0.43 Allowed 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.642 2.228 . . . . 0.0 112.385 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.5 m -90.72 51.29 1.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.024 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -146.62 153.65 40.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.685 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 -95.71 33.99 1.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 69.32 9.82 7.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.414 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -179.38 -32.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.422 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.32 138.58 54.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.801 0.334 . . . . 0.0 110.891 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 33.6 mt -50.78 126.07 14.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.697 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.48 154.52 4.42 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.799 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -55.83 121.33 9.77 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.547 2.165 . . . . 0.0 112.239 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.47 119.86 2.6 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.307 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.403 ' O ' ' CD2' ' A' ' 31' ' ' TYR . . . 107.59 23.43 6.88 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.264 -179.651 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 86.8 m -106.45 113.72 27.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.828 0.346 . . . . 0.0 110.777 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 t -53.28 155.84 2.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.8 t -105.54 -38.27 6.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 21.0 t90 -141.4 90.22 2.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -113.97 158.61 20.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -161.74 -44.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -177.66 -39.42 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.969 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.2 p -111.25 -32.76 2.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.53 153.0 27.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.1 p -176.52 109.22 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 29.0 m-70 -130.45 81.17 1.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 19' ' ' GLY . 27.4 m-85 -59.21 116.67 4.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.2 m -66.82 173.49 3.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.0 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.95 7.36 29.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.337 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 56.95 28.18 57.65 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.581 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.6 mmt85 -103.88 -32.82 9.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.774 0.321 . . . . 0.0 110.889 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.3 m -143.95 165.76 26.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.958 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 52.1 m -71.07 -30.52 66.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.79 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -67.25 172.37 4.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.8 p -144.86 90.14 6.39 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -68.76 177.68 4.66 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.549 2.166 . . . . 0.0 112.261 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.1 m -85.01 57.23 4.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -110.22 87.28 5.94 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.62 151.8 69.9 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.565 2.177 . . . . 0.0 112.354 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.407 -1.218 . . . . 0.0 112.542 179.985 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.838 0.351 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.3 mtm -143.43 -177.39 5.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.39 -78.49 0.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -114.51 -27.26 7.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.1 t 43.52 93.22 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.511 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 16.2 p -106.72 141.91 37.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.64 -176.78 39.7 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -55.0 -34.96 88.82 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.655 2.236 . . . . 0.0 112.431 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 m -91.24 11.5 23.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.39 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 55.9 m -132.41 136.77 47.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.841 0.353 . . . . 0.0 110.931 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 68.6 mtt-85 -59.24 -37.09 76.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.013 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 166.12 -29.26 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.317 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -152.39 26.93 0.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.055 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.6 tptt -171.41 146.11 2.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.815 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.1 mt -56.39 122.19 11.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -54.92 158.09 4.98 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.837 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_exo -51.28 122.57 10.33 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.52 2.147 . . . . 0.0 112.338 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -48.81 111.87 0.53 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.263 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.8 21.09 6.16 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.464 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.5 m -104.21 121.73 43.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.809 0.337 . . . . 0.0 110.742 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 t -54.56 123.99 14.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.104 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.8 p -107.42 -31.29 8.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.449 ' CE3' ' CG2' ' A' ' 25' ' ' THR . 0.2 OUTLIER -102.71 68.09 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.808 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.8 103.71 0.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.948 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.449 ' CG2' ' CE3' ' A' ' 23' ' ' TRP . 20.2 p -102.73 -15.31 16.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.214 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.9 t 65.44 43.51 3.41 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.914 0.388 . . . . 0.0 110.741 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.1 p -178.82 -37.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.189 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.49 -36.91 7.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.944 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.9 m 59.81 109.36 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.951 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.411 ' CG ' ' HB3' ' A' ' 23' ' ' TRP . 5.7 m170 -93.52 -177.03 4.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -154.64 116.33 4.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 9.7 t -75.6 160.56 29.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 t -99.21 4.24 46.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.433 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.36 25.99 20.99 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.707 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.1 ttm180 -116.15 -38.77 3.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.86 0.362 . . . . 0.0 110.967 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.0 t -138.99 152.39 47.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.961 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.08 -22.27 60.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.082 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -62.23 86.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.8 t -55.78 108.77 1.29 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.17 177.52 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.417 2.078 . . . . 0.0 112.339 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.7 m -128.97 41.87 3.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -113.81 88.87 14.82 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.918 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -51.62 164.25 0.99 Allowed 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.573 2.182 . . . . 0.0 112.347 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.385 -1.23 . . . . 0.0 112.509 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.85 0.357 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.9 tpp -145.67 -59.55 0.33 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -106.03 35.24 2.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.949 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 65.0 m -60.9 110.47 1.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.7 m -77.11 63.6 2.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.667 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -49.28 104.81 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.22 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.43 171.76 35.29 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.373 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_exo -51.76 -24.63 18.61 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.592 2.195 . . . . 0.0 112.401 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -109.9 25.56 11.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.105 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -136.72 98.14 3.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.922 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -110.83 129.54 55.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.771 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 64.62 14.25 8.87 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.317 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.1 t 73.92 43.49 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.869 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.8 mmtt -139.68 110.66 6.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.392 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 tt -45.85 105.45 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.025 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.5 mmtm -47.15 150.26 1.49 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.213 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.1 141.4 58.0 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.556 2.171 . . . . 0.0 112.433 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.27 148.78 35.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.401 ' O ' ' CD2' ' A' ' 31' ' ' TYR . . . 75.92 8.63 84.94 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.783 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.3 m -107.8 113.05 26.02 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.851 0.357 . . . . 0.0 110.805 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.3 t -57.04 152.43 13.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.032 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.1 p -99.06 -37.41 9.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 24.5 t90 -128.83 104.42 7.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -115.74 166.89 11.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.2 t -172.25 36.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m 60.77 36.79 19.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.3 p -178.32 -38.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 35.8 m -101.06 140.47 35.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.1 m -165.31 122.03 1.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -104.24 -32.33 9.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.401 ' CD2' ' O ' ' A' ' 19' ' ' GLY . 10.4 m-85 62.42 126.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.64 172.73 12.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.773 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.4 p -121.23 19.26 11.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.069 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 49.74 26.12 7.64 Favored Glycine 0 C--N 1.332 0.312 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.781 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -118.64 -38.29 3.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.842 0.353 . . . . 0.0 111.01 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -141.29 173.17 11.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 66.1 m -107.51 20.12 19.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.038 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -115.71 94.76 4.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.801 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.6 m -54.18 108.34 1.11 Allowed Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.056 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -52.09 177.62 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.469 2.112 . . . . 0.0 112.299 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.0 m -96.96 39.77 1.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -105.85 87.42 2.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.75 113.41 3.36 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.551 2.167 . . . . 0.0 112.328 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.088 0 CA-C-O 118.385 -1.231 . . . . 0.0 112.544 179.968 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.818 0.342 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -143.19 -49.58 0.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 60.52 -174.66 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.4 ' CB ' ' HA ' ' A' ' 13' ' ' CYS . 1.9 m 61.85 115.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 51.8 p -56.83 173.06 0.22 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.978 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.4 p -155.06 126.07 7.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.936 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.61 -176.16 27.54 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.518 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -73.78 -29.5 10.42 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.598 2.199 . . . . 0.0 112.536 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 35.2 t -93.87 46.64 1.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.966 0.412 . . . . 0.0 110.98 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.6 p -178.72 159.34 1.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.52 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -92.58 35.1 1.03 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.117 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 63.2 12.61 6.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.449 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.4 ' HA ' ' CB ' ' A' ' 4' ' ' CYS . 1.3 m -159.16 -38.54 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.625 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.5 mmmt -130.41 128.31 41.1 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.762 0.315 . . . . 0.0 110.762 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -45.95 129.75 9.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.618 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.8 mttt -56.65 166.32 1.34 Allowed Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.686 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -64.91 128.25 20.38 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.397 2.064 . . . . 0.0 112.315 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.69 101.48 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.072 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.48 -16.17 2.26 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.562 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -57.31 174.61 0.19 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.798 0.332 . . . . 0.0 110.748 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.418 HG21 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -118.55 146.52 44.51 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.2 t -104.01 -64.2 1.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -127.15 145.38 50.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.9 101.84 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.7 p -112.12 -35.14 5.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.4 p -178.3 -39.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.934 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.4 p -109.2 -32.84 2.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.166 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.5 m -85.81 157.69 20.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.31 78.5 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 15.1 m170 -89.65 143.44 26.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.418 ' CE2' HG21 ' A' ' 21' ' ' THR . 35.7 m-85 -119.32 162.92 17.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.951 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.2 m -92.36 122.92 35.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.761 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.8 t -81.84 2.77 28.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.219 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 54.85 22.36 26.53 Favored Glycine 0 C--N 1.332 0.35 0 C-N-CA 120.594 -0.813 . . . . 0.0 112.674 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.7 mtt85 -115.16 -35.62 4.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.831 0.348 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.6 m -150.04 141.13 23.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.615 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 48.1 t -70.7 -20.01 62.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.826 0.346 . . . . 0.0 110.832 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.11 98.86 0.82 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.751 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 36.0 m -54.53 108.19 1.08 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.063 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.37 177.32 5.43 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.447 2.098 . . . . 0.0 112.329 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.8 m -102.62 37.4 1.93 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -114.42 87.51 14.0 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.07 148.72 23.17 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.59 2.193 . . . . 0.0 112.306 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.082 0 CA-C-O 118.356 -1.247 . . . . 0.0 112.476 -180.0 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.781 0.324 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.6 ttt -67.1 -65.47 0.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -105.15 32.65 4.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 56.6 m 60.54 111.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.9 p -66.91 99.72 0.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.83 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 71.5 p -71.55 130.14 40.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.026 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.99 164.28 12.61 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.489 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.57 -40.69 5.3 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.53 2.153 . . . . 0.0 112.346 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -58.81 -26.44 64.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.007 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 61.2 m -92.07 166.86 12.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.984 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.84 45.04 1.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.63 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 75.98 3.54 3.75 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.624 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 50.2 t -177.79 -38.07 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.606 0.241 . . . . 0.0 111.549 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.2 ttmt -122.72 137.35 54.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.881 0.372 . . . . 0.0 111.08 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.3 mt -48.07 123.87 6.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.056 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.8 mttm -59.07 157.44 21.54 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.747 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_exo -51.22 123.41 11.91 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.523 2.148 . . . . 0.0 112.309 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.2 111.63 0.43 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.278 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.27 17.85 6.51 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.559 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.9 m -114.57 114.39 25.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.754 0.311 . . . . 0.0 110.761 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.3 t -55.13 128.96 36.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 21.3 p -76.65 -34.62 58.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.929 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 24.4 t90 -131.51 107.2 8.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.0 ptt-85 -104.25 152.86 21.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.5 p -157.38 -77.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.93 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.3 p -176.95 -39.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.906 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.9 m -129.51 31.02 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.132 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.1 t -171.65 123.07 0.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.9 m -161.89 161.8 28.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 25.0 m-70 -149.65 107.99 3.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -59.55 135.23 57.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 9.0 t -82.52 141.63 32.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.846 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 73.8 p -86.2 0.87 52.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.344 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.39 23.9 14.85 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.841 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.4 ptt85 -120.93 -31.61 4.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.646 0.26 . . . . 0.0 111.226 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.2 t -140.97 149.69 42.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.779 0.323 . . . . 0.0 110.884 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.2 -23.02 61.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.14 86.44 1.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.883 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.5 t -57.71 109.69 1.96 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.54 171.18 0.22 Allowed 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.389 2.06 . . . . 0.0 112.289 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.1 t -107.73 34.19 3.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -105.98 87.28 2.33 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.01 177.09 6.11 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.573 2.182 . . . . 0.0 112.311 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.417 -1.213 . . . . 0.0 112.462 -179.959 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.79 0.328 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -132.01 80.02 1.89 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -166.65 130.51 2.0 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.3 m -107.42 -31.09 8.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.943 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.9 p 58.08 109.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.0 p -98.94 151.73 20.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.03 -176.17 32.8 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.499 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.77 -28.25 20.66 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.601 2.2 . . . . 0.0 112.349 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -94.88 45.67 1.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.4 p -177.96 119.79 0.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.757 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.32 -91.5 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.164 -179.636 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -119.56 -20.89 7.58 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.549 0.214 . . . . 0.0 111.255 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.1 t -176.92 37.04 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.73 0.3 . . . . 0.0 110.992 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -153.93 136.65 15.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.81 0.338 . . . . 0.0 110.871 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 68.4 mt -54.37 121.38 8.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.763 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.5 mttt -49.63 165.99 0.27 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.074 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.56 117.15 4.5 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.541 2.161 . . . . 0.0 112.29 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.17 122.29 15.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.065 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.8 28.9 4.03 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.481 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 13.3 t -121.45 175.0 6.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.884 0.373 . . . . 0.0 110.854 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.99 141.94 27.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.877 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 52.9 t -96.1 -70.74 0.7 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 25.0 t90 -126.71 89.83 3.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -78.99 118.38 20.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.917 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -111.57 -76.41 0.6 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.9 m -177.55 -39.55 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.3 p -112.32 -32.33 2.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.177 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.404 ' OG ' ' CD2' ' A' ' 30' ' ' HIS . 19.4 t -79.68 -78.64 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.9 m 60.23 101.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.404 ' CD2' ' OG ' ' A' ' 28' ' ' SER . 35.7 m170 -104.18 -177.77 3.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -146.54 161.2 40.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.2 t -107.22 127.17 53.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.3 t -86.75 5.7 35.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.313 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 53.13 35.98 50.83 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.634 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -115.03 -37.89 4.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.837 0.351 . . . . 0.0 111.031 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.8 166.52 31.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.924 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 84.6 m -71.34 -30.27 65.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -63.18 103.23 0.46 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.6 m -68.41 155.03 93.48 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.78 160.75 48.56 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.531 2.154 . . . . 0.0 112.325 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.3 m -131.12 33.09 4.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 26.2 p90 -137.85 154.87 74.9 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.11 108.59 2.18 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.592 2.194 . . . . 0.0 112.284 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.334 -1.259 . . . . 0.0 112.508 179.993 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.861 0.363 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 5.0 mtt -88.46 -52.28 5.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -76.51 119.37 20.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 23.7 m -148.3 112.08 5.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -62.63 141.2 58.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.747 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 30.3 p -128.26 123.99 35.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.964 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.21 -169.49 41.96 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.52 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -78.43 -33.2 1.93 Allowed 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.73 2.287 . . . . 0.0 112.606 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -74.89 -26.91 59.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.128 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 26.2 p -112.5 134.45 54.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.748 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.4 mtm180 -59.34 -94.78 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.093 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -120.22 -22.0 6.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.666 0.269 . . . . 0.0 111.128 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 33.9 t -176.82 35.62 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.8 0.333 . . . . 0.0 111.051 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.6 tttp -163.35 126.19 2.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.761 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -49.78 115.18 1.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.814 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.9 mttt -49.23 156.44 1.02 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.031 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -51.95 134.42 48.82 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.504 2.136 . . . . 0.0 112.41 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.58 132.84 54.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.033 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.59 21.52 56.01 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.536 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 87.2 m -110.4 117.74 34.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 0.0 110.735 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -58.4 127.2 30.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.1 p -89.47 -40.63 12.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 35.5 t90 -134.42 140.06 46.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -149.55 146.92 27.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.4 m -160.56 38.37 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.3 m 60.84 29.93 19.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.3 p -125.68 -42.54 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.145 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.7 m -163.3 -176.47 4.8 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.914 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.8 m -133.5 118.31 18.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -105.36 85.33 2.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -73.75 134.8 43.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.7 t -78.51 140.45 38.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.6 p -91.76 9.95 30.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.3 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 50.65 26.13 10.05 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.676 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.5 ttt-85 -116.5 -36.22 4.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.809 0.338 . . . . 0.0 111.102 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -144.62 150.18 36.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.945 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 43.7 t -73.26 -19.3 61.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.063 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -74.32 85.99 1.96 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.867 0.365 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -57.67 109.62 1.91 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.959 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.95 177.38 0.06 OUTLIER 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.431 2.087 . . . . 0.0 112.255 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.4 m -111.76 31.71 5.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -68.92 149.57 97.83 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.27 155.64 63.78 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.53 2.153 . . . . 0.0 112.315 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.421 -1.21 . . . . 0.0 112.467 -179.999 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.825 0.345 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.74 162.56 32.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -148.28 167.97 23.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m -88.97 116.16 27.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.44 112.76 6.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.2 p -83.06 128.85 34.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.13 175.81 34.52 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.527 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -42.55 3.34 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.599 2.2 . . . . 0.0 112.253 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.65 -26.85 64.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.999 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 54.7 m -93.12 166.11 12.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.8 ttt180 -92.93 48.12 1.33 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 72.11 8.06 5.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.492 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -160.15 -59.62 0.06 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.774 0.321 . . . . 0.0 111.067 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.52 157.53 31.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.007 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.61 131.24 45.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.927 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.2 mtmp? -66.82 166.03 21.84 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.944 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.2 142.45 67.33 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.61 2.207 . . . . 0.0 112.293 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.02 108.05 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.056 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.01 25.74 3.77 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.559 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 67.8 m -117.08 118.8 33.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.86 0.362 . . . . 0.0 110.826 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.2 t -62.48 128.5 36.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.984 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 29.4 p -85.72 -31.23 22.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.42 ' CE3' ' HA ' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -115.78 87.95 2.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.799 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -111.49 84.52 1.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.418 ' HB ' ' CZ3' ' A' ' 23' ' ' TRP . 4.2 t -120.88 35.26 4.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m 60.85 38.97 17.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.2 p -178.55 -38.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.162 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.5 m -86.85 147.84 25.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.944 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.1 m -161.08 101.45 1.25 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -110.17 -30.23 7.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.004 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 62.4 116.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.865 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.9 t -85.44 134.55 34.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.823 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.1 p -91.84 12.53 21.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.187 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.79 46.05 24.94 Favored Glycine 0 C--N 1.332 0.345 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.796 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -139.86 -46.42 0.44 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.878 0.37 . . . . 0.0 111.063 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 m -127.35 148.53 50.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.988 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.91 -19.01 60.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.151 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -81.1 95.58 6.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.791 0.329 . . . . 0.0 110.921 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.18 146.23 83.8 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.832 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.81 128.66 15.36 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.493 2.129 . . . . 0.0 112.302 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.6 p -63.13 -32.11 73.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -82.25 149.82 62.86 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.97 129.31 17.15 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.597 2.198 . . . . 0.0 112.264 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.384 -1.231 . . . . 0.0 112.536 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.786 0.327 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 4.8 ttm -89.59 -31.6 17.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 60.71 111.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.4 m -132.59 108.61 9.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.8 m -67.11 76.18 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.804 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 36.4 p -52.59 114.59 1.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.38 169.69 40.62 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.53 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.39 -31.18 56.27 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.596 2.198 . . . . 0.0 112.492 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.8 t -97.57 29.78 3.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.001 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.406 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -130.09 109.05 10.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.621 179.927 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.424 ' O ' ' HB2' ' A' ' 12' ' ' GLN . 8.0 ttp180 -52.97 -30.15 33.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.242 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.424 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER 170.28 -31.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.869 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.6 t -175.52 33.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.986 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -156.93 110.2 2.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.495 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.34 107.91 0.11 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.945 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.2 mtmm -46.36 155.84 0.53 Allowed Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.231 -179.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo -51.88 136.59 51.8 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.582 2.188 . . . . 0.0 112.434 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.05 108.97 0.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.46 26.61 3.9 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.447 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 79.3 m -117.4 131.21 56.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.811 0.338 . . . . 0.0 110.761 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.05 147.01 40.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.2 p -97.62 -30.95 12.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.409 ' CZ2' ' HB ' ' A' ' 25' ' ' THR . 20.1 t90 -130.63 -73.96 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.93 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.1 ttp85 58.07 87.7 0.07 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.409 ' HB ' ' CZ2' ' A' ' 23' ' ' TRP . 4.7 t -83.49 -39.48 20.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.7 -39.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.867 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.0 t -120.23 -40.19 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.151 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.91 86.74 6.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.899 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.8 m -97.01 79.19 2.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.418 ' CE1' ' HA ' ' A' ' 43' ' ' PRO . 12.3 m-70 -73.09 98.95 2.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.961 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -74.62 159.19 32.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.9 m -98.72 154.59 17.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.9 t -108.17 13.89 25.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 49.46 26.69 7.42 Favored Glycine 0 C--N 1.333 0.364 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.724 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -105.27 -31.18 9.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 0.0 110.98 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.47 172.23 15.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.406 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 1.8 m -95.24 10.31 36.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.184 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -117.18 115.19 24.85 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.81 0.338 . . . . 0.0 110.811 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.81 147.08 73.49 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.966 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.37 177.68 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.549 2.166 . . . . 0.0 112.28 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.1 m -106.57 31.46 5.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -161.45 157.27 21.35 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.418 ' HA ' ' CE1' ' A' ' 30' ' ' HIS . 54.4 Cg_endo -69.58 165.61 30.17 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.592 2.194 . . . . 0.0 112.261 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.363 -1.243 . . . . 0.0 112.48 179.993 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.768 0.318 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.5 166.2 23.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -136.0 79.92 1.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.3 m -104.39 -28.23 11.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.961 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 62.47 63.39 1.03 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.987 0.422 . . . . 0.0 110.768 -179.947 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.78 138.38 58.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.948 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.92 -170.25 42.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -69.4 -28.25 27.19 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.621 2.214 . . . . 0.0 112.304 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 46.7 m -98.52 33.73 2.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -148.75 164.31 34.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.862 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -178.09 128.04 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.748 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 63.17 15.65 8.73 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.218 -179.866 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.7 t 76.95 39.22 0.22 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.79 -179.71 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.59 122.44 11.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.559 179.86 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -47.73 114.92 0.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.082 -179.837 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.9 mttt -53.62 164.59 0.84 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.942 -179.876 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -64.97 139.19 60.52 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.539 2.159 . . . . 0.0 112.365 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.5 122.58 13.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.915 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.32 22.61 8.54 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.519 -179.928 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 76.2 m -91.11 120.28 31.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.827 0.346 . . . . 0.0 110.807 179.914 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.23 135.05 53.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.918 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 28.2 p -107.01 -31.92 8.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -153.28 78.37 1.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -93.01 145.98 23.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -141.77 -174.99 4.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.905 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.22 -30.8 63.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.3 t -106.4 -32.54 2.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.217 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.01 169.75 8.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -174.67 98.46 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.445 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.3 m-70 -102.46 142.66 33.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.962 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -125.54 156.17 39.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.7 t -88.57 165.31 14.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.967 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.7 t -109.22 8.35 25.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.364 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 54.02 24.78 29.01 Favored Glycine 0 C--N 1.332 0.306 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.753 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.1 ttp85 -112.2 -35.98 5.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.832 0.348 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 m -129.11 172.74 11.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.761 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 35.4 m -110.55 22.55 15.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.946 179.89 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -131.11 92.21 3.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.753 179.787 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.4 t -53.12 107.69 0.91 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.078 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.42 ' HB2' ' CD2' ' A' ' 42' ' ' TYR . 55.1 Cg_endo -69.76 177.54 5.48 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.469 2.113 . . . . 0.0 112.277 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.5 p -94.41 46.48 1.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.42 ' CD2' ' HB2' ' A' ' 40' ' ' PRO . 17.5 m-85 -114.1 88.32 14.63 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -51.91 131.44 38.42 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.55 2.167 . . . . 0.0 112.328 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.39 -1.228 . . . . 0.0 112.496 -180.0 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.8 0.333 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 16.1 ttm -105.33 81.95 1.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.947 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -73.94 136.49 43.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 67.9 m -153.47 -178.09 6.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.7 p -141.55 112.95 7.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.824 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.7 p -101.7 108.4 19.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.62 -157.55 21.33 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.529 -179.787 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -83.44 -43.58 0.07 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.766 2.311 . . . . 0.0 112.863 -179.713 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -92.92 46.03 1.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.948 0.404 . . . . 0.0 111.276 -179.538 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.0 p -170.11 120.45 0.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.969 0.414 . . . . 0.0 111.064 179.701 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 14' ' ' LYS . 43.7 mtp180 -58.71 -162.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.954 -179.954 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.51 -27.09 35.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.603 -179.663 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -167.23 30.41 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -179.625 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.402 ' O ' ' N ' ' A' ' 11' ' ' ARG . 21.3 mmtt -158.27 128.17 5.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.569 0.223 . . . . 0.0 110.648 179.743 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 pp -43.58 137.7 2.81 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.697 179.947 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -59.94 160.03 17.6 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.038 -179.072 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_exo -50.73 138.76 40.76 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.579 2.186 . . . . 0.0 112.417 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.75 105.69 0.4 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.033 179.893 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.404 ' O ' ' CD2' ' A' ' 31' ' ' TYR . . . 115.64 28.43 2.74 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.63 179.896 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.8 m -102.84 107.59 18.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.855 0.36 . . . . 0.0 110.852 179.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -47.15 117.03 1.57 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.333 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 28.3 t -69.84 -49.96 47.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 21.3 t90 -151.03 97.81 2.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.71 111.56 23.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.01 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 70.8 p -80.58 -77.94 0.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.772 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.5 m -162.02 29.29 0.12 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.005 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.3 p 179.74 -38.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.102 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 m -60.62 -79.86 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.971 -179.892 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.9 t 59.69 106.83 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.404 ' CG ' ' HA ' ' A' ' 43' ' ' PRO . 8.9 m-70 -125.32 93.56 3.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.404 ' CD2' ' O ' ' A' ' 19' ' ' GLY . 15.4 m-85 -63.48 142.83 58.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -69.6 158.82 34.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.016 180.0 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.0 t -96.6 2.26 52.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.165 179.811 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 53.31 29.07 36.93 Favored Glycine 0 C--N 1.332 0.347 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.65 -179.848 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -119.0 -41.83 2.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.892 0.377 . . . . 0.0 110.921 -179.915 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -151.38 158.8 44.21 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.7 t -72.67 -23.95 60.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.113 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -59.89 89.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.948 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 86.8 m -58.04 109.73 2.02 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.03 177.4 0.06 OUTLIER 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.399 2.066 . . . . 0.0 112.292 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.1 m -91.82 -31.5 15.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 28.5 p90 -83.72 151.74 61.92 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.404 ' HA ' ' CG ' ' A' ' 30' ' ' HIS . 55.5 Cg_endo -70.16 -177.5 2.03 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.542 2.161 . . . . 0.0 112.332 179.989 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.385 -1.231 . . . . 0.0 112.511 -179.981 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.829 0.347 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.0 tpt -102.81 82.28 2.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -83.1 -38.32 22.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.4 m 63.43 138.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 76.8 p -67.56 76.15 0.18 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.2 p -91.92 109.55 20.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.22 -176.05 44.09 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.471 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.01 -27.61 25.05 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.521 2.147 . . . . 0.0 112.333 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 67.8 m -109.36 34.2 3.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.953 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.9 p -172.98 116.01 0.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.956 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -132.73 158.68 41.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.737 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 67.73 12.8 9.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.308 -179.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.8 t 75.97 38.62 0.34 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.851 -179.732 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -157.23 140.11 15.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.744 179.882 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.67 121.16 7.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.895 179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.6 tttp -56.26 148.67 40.93 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.057 -179.937 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.23 142.05 57.45 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.581 2.187 . . . . 0.0 112.308 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.23 116.73 5.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.024 179.927 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.83 2.3 7.97 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.901 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.35 172.94 9.44 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.849 0.357 . . . . 0.0 110.774 179.911 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.418 HG21 ' CE1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -107.0 165.92 10.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.027 -179.941 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -105.2 -70.83 0.76 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.1 t90 -137.1 -71.14 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.3 ttt180 59.97 107.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.894 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.7 m -105.46 -34.66 7.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.08 -39.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -112.2 -33.25 2.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.117 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.6 t -72.95 136.99 45.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 72.5 m -139.0 79.19 1.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -103.03 145.43 29.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.418 ' CE1' HG21 ' A' ' 21' ' ' THR . 21.9 m-85 -136.2 158.95 43.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 28.8 m -93.72 134.79 35.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.9 t -93.96 14.7 18.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.274 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 53.01 25.25 23.59 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.723 179.937 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -107.98 -35.0 6.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.889 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.8 t -161.35 165.65 28.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 82.8 m -71.34 -29.12 64.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -62.78 113.54 3.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.97 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.3 t -61.35 139.88 94.69 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.44 171.74 0.19 Allowed 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.469 2.113 . . . . 0.0 112.317 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.7 p -103.95 -32.8 9.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 22.5 p90 -100.35 154.78 37.01 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.97 168.96 20.34 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.578 2.185 . . . . 0.0 112.314 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.376 -1.236 . . . . 0.0 112.505 179.98 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.781 0.324 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 8.7 mtt -100.6 -33.91 10.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -146.28 35.46 0.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 34.9 m -105.6 113.13 26.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.8 p -58.96 92.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -87.63 116.67 25.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.88 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.12 -179.52 48.88 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.477 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.04 -26.15 21.93 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.638 2.226 . . . . 0.0 112.394 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.6 t -89.06 5.49 44.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.445 -179.845 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.3 m -123.27 153.05 40.72 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.757 0.313 . . . . 0.0 110.77 179.891 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -86.25 -89.45 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.908 -179.856 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.31 -24.82 7.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.758 0.313 . . . . 0.0 110.98 179.901 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.3 t -178.87 36.01 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.027 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -161.74 137.21 7.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.825 179.95 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 mt -56.01 114.93 2.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.729 179.889 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.25 147.94 12.63 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.975 -179.849 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -52.65 143.0 48.31 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.58 2.187 . . . . 0.0 112.388 -179.926 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.99 127.16 30.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.05 179.916 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.43 -5.18 21.39 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.773 -179.92 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.3 m -80.76 112.43 18.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.814 0.34 . . . . 0.0 110.807 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.407 HG21 ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -65.41 147.41 53.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -179.944 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 34.4 m -91.56 -74.85 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.972 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 21.2 t90 -82.31 -36.4 27.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? 59.21 108.48 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -155.23 162.62 40.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.9 t -85.69 56.84 4.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.0 p -178.51 -38.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.156 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 92.3 p -133.6 84.61 2.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 t -79.44 82.89 5.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.414 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 12.3 m170 -72.36 93.59 1.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.987 179.936 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.407 ' CD1' HG21 ' A' ' 21' ' ' THR . 22.2 m-85 -85.69 155.97 20.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 179.944 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.2 m -94.74 135.76 35.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.5 p -95.55 12.79 28.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.011 179.855 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.8 28.44 3.78 Favored Glycine 0 C--N 1.333 0.374 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.88 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.3 mmt-85 -115.22 -35.59 4.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.791 0.329 . . . . 0.0 111.165 -179.799 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 m -133.21 152.9 51.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.979 -179.939 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -71.31 -24.12 62.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.953 179.838 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -94.78 125.48 39.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.794 179.884 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -58.81 146.52 75.22 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.98 -179.916 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.77 177.71 7.26 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.569 2.179 . . . . 0.0 112.346 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.4 m -101.78 33.77 2.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -105.48 88.24 2.58 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.414 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 52.5 Cg_endo -69.49 96.99 0.59 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.534 2.156 . . . . 0.0 112.296 -179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.385 -1.231 . . . . 0.0 112.509 -179.984 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.818 0.342 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 5.0 ttt -102.15 36.36 2.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -129.37 156.32 44.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 73.2 m 60.19 108.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.958 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.3 90.59 3.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.611 179.812 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -44.82 96.23 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.427 -179.71 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.17 -166.66 13.99 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.402 -179.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -74.95 -26.61 10.86 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.634 2.223 . . . . 0.0 112.601 -179.836 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -98.19 31.92 2.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.096 -179.836 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.4 m -159.37 110.6 2.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.622 179.793 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.71 -87.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.128 -179.681 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -121.49 -19.73 6.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.609 0.243 . . . . 0.0 111.318 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 176.58 36.85 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.022 -179.827 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.3 tptm -148.96 120.5 7.97 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.857 0.361 . . . . 0.0 110.907 -179.953 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.7 mt -47.95 115.96 1.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.777 179.788 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -47.12 144.39 4.11 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.966 -179.639 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -49.98 128.06 20.99 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.556 2.17 . . . . 0.0 112.498 -179.772 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.3 101.42 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.032 179.878 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 139.88 -14.61 3.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.463 -179.744 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.0 m -69.66 112.17 5.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.812 0.339 . . . . 0.0 110.659 179.869 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.57 142.65 50.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.976 -179.752 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -77.19 -57.38 3.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 18.4 t90 -106.7 -71.6 0.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.956 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.67 97.76 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.962 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.87 -34.04 12.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.0 p -178.31 -39.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.3 p -129.91 -44.02 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.138 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.2 t -66.03 104.25 1.1 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.901 -179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 73.2 m -131.37 115.72 16.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -77.04 -37.75 54.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 62.66 127.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -73.19 140.83 47.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.0 p -94.85 14.7 20.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.044 179.872 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.38 31.21 6.47 Favored Glycine 0 C--N 1.332 0.339 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.917 179.901 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 27.2 ttm-85 -144.91 19.3 1.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.621 0.248 . . . . 0.0 111.317 -179.959 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.9 p -178.26 136.37 0.16 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.779 0.323 . . . . 0.0 110.812 179.882 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.8 m -78.91 -8.56 58.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.271 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -96.29 93.04 6.65 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.858 0.361 . . . . 0.0 110.823 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.4 p -57.47 109.59 1.87 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.53 176.75 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.433 2.089 . . . . 0.0 112.308 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -112.84 37.17 3.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -114.49 87.52 14.18 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.2 -176.69 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.548 2.166 . . . . 0.0 112.323 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.4 -1.222 . . . . 0.0 112.497 -179.958 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.799 0.333 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 10.0 mtm 63.88 -79.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.8 t0 60.6 -174.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 68.38 8.43 6.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.538 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 58.08 106.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 0.0 110.954 179.863 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.3 p -110.91 125.26 53.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 179.873 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.6 -162.53 36.32 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.579 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -78.56 -41.66 0.25 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.724 2.283 . . . . 0.0 112.717 -179.765 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.404 ' CB ' ' HA ' ' A' ' 37' ' ' CYS . 3.4 m -85.6 54.69 3.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.919 0.39 . . . . 0.0 111.215 -179.745 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 24.2 p 179.49 129.47 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.702 179.69 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -55.17 -42.01 72.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.059 -179.755 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 165.65 -29.31 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.245 -179.923 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.6 m -138.62 10.92 2.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.65 -179.843 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -159.66 133.78 7.49 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.749 0.309 . . . . 0.0 110.66 179.887 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.9 pp -48.18 131.12 16.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.604 179.897 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.9 mttp -65.47 160.43 59.51 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.707 -179.61 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -64.37 137.22 54.66 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.517 2.144 . . . . 0.0 112.232 179.87 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.18 157.31 0.68 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.205 -179.979 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.34 -16.45 61.06 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.678 -179.938 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -57.02 175.07 0.14 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.916 0.388 . . . . 0.0 110.859 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.69 132.7 51.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.892 -179.928 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.0 t -95.78 -31.88 12.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -165.94 83.13 0.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -106.45 104.53 14.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.8 m -119.16 30.04 7.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.969 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.6 m 58.83 30.83 20.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.943 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -128.95 -44.56 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.24 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 97.1 p -114.79 -36.88 4.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.1 m 59.77 79.5 0.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.41 ' CE1' ' HA ' ' A' ' 43' ' ' PRO . 15.2 m170 -92.29 163.55 13.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -140.99 152.96 45.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 11.9 t -83.03 132.74 35.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.9 t -68.78 -12.17 61.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.23 179.872 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 59.74 29.77 67.91 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.4 -179.773 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -120.73 -38.32 2.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.822 0.344 . . . . 0.0 111.01 -179.853 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 m -155.48 159.59 39.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.719 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.404 ' HA ' ' CB ' ' A' ' 9' ' ' CYS . 4.4 t -72.74 -25.4 61.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.039 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -59.2 88.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.835 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.3 m -55.87 108.75 1.29 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.986 -179.891 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.27 177.55 5.81 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.427 2.084 . . . . 0.0 112.289 179.971 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.6 t -100.9 41.08 1.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -105.1 88.55 2.49 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.41 ' HA ' ' CE1' ' A' ' 30' ' ' HIS . 51.7 Cg_endo -69.12 115.17 3.87 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.571 2.18 . . . . 0.0 112.319 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.369 -1.239 . . . . 0.0 112.475 179.981 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.834 0.35 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 14.3 ttt 60.36 80.1 0.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.936 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -94.9 127.22 40.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.2 m -106.31 -33.86 7.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.954 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 63.92 135.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.716 -179.851 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -123.33 134.69 54.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.912 -179.937 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.21 -162.89 34.61 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.427 -179.895 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -79.22 -43.83 0.14 Allowed 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.629 2.219 . . . . 0.0 112.6 -179.808 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -62.31 -27.83 69.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.227 -179.732 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.5 p -111.76 128.78 56.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.836 179.903 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.3 mtp85 -58.43 -91.04 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.186 -179.667 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -123.49 -19.18 5.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.576 0.227 . . . . 0.0 111.413 -179.786 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.1 m -171.36 29.37 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.696 -0.229 . . . . 0.0 111.466 -179.747 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.5 tttt -170.19 122.57 0.67 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.768 0.318 . . . . 0.0 110.84 179.911 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.85 115.65 1.23 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.713 179.818 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.7 mttm -46.75 164.05 0.23 Allowed Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 -179.599 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -56.24 138.33 82.96 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.598 2.199 . . . . 0.0 112.191 179.909 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.31 119.0 4.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.224 179.939 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.46 13.19 8.31 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.723 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 10.9 m -91.69 118.87 31.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.853 0.359 . . . . 0.0 110.766 179.926 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 t -50.66 139.36 16.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.19 -179.858 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 51.4 t -113.06 101.47 9.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 71.0 t90 60.54 95.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.81 127.56 55.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.1 p -92.15 -78.4 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.21 37.73 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.1 p -178.5 -38.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 179.919 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.8 p -80.16 -78.11 0.17 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.4 t 60.17 108.5 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.411 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 11.8 m170 -93.14 -168.76 2.0 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -152.57 112.49 3.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 14.7 t -66.04 143.72 57.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.819 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.9 t -90.66 10.47 25.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.354 -179.98 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 50.17 28.41 13.2 Favored Glycine 0 C--N 1.332 0.341 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.726 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 -102.51 -35.71 8.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.835 0.35 . . . . 0.0 111.004 -179.833 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -166.74 171.8 11.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.947 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 6.7 t -74.81 -25.77 59.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.064 -179.976 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -58.87 88.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.927 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 36.0 t -59.92 110.52 2.87 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.413 ' HB2' ' CE1' ' A' ' 42' ' ' TYR . 52.9 Cg_exo -52.68 177.22 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.433 2.089 . . . . 0.0 112.263 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -126.38 65.65 1.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.413 ' CE1' ' HB2' ' A' ' 40' ' ' PRO . 14.3 p90 -141.52 149.21 53.37 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.51 127.68 25.1 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.559 2.173 . . . . 0.0 112.286 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.512 179.963 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.845 0.355 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 6.8 ttm -158.77 -52.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -106.87 31.55 5.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -110.88 119.19 38.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 47.1 p -63.58 109.68 1.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.9 m -117.44 155.63 29.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.94 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.74 -169.51 29.25 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.513 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.28 -37.1 6.19 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.609 2.206 . . . . 0.0 112.421 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -100.13 31.67 3.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.943 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 55.9 m -144.83 160.89 40.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.88 31.97 2.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.992 -179.9 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 69.96 9.34 7.07 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.492 179.941 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.4 m -164.14 -41.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.693 0.282 . . . . 0.0 111.245 -179.957 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.7 mttm -128.06 159.11 36.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.829 0.347 . . . . 0.0 110.997 -179.867 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 59.6 mt -59.07 132.64 54.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 179.884 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -59.07 149.46 66.74 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.743 179.913 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -51.53 121.95 9.41 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.524 2.149 . . . . 0.0 112.384 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.73 109.38 0.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.1 179.891 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.26 23.97 4.32 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.497 -179.74 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.1 m -100.81 127.46 47.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.785 0.326 . . . . 0.0 110.56 179.918 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -49.87 163.28 0.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.314 -179.645 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.0 t -154.13 -45.98 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.012 -179.887 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.422 ' O ' ' CD2' ' A' ' 30' ' ' HIS . 0.9 OUTLIER -175.72 -178.56 1.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.086 -179.83 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.421 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 0.0 OUTLIER 175.34 -33.64 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.832 179.852 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 75.21 48.66 0.09 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.807 -179.803 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 m -178.81 -72.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.741 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.8 p -123.94 -3.29 6.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.635 179.95 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.6 p 57.64 106.71 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.864 0.364 . . . . 0.0 111.014 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 40.4 t -176.66 36.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.225 -179.996 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.422 ' CD2' ' O ' ' A' ' 23' ' ' TRP . 0.7 OUTLIER -65.38 -29.89 70.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.773 179.836 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 60.0 105.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.976 179.894 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.4 t -70.25 159.67 33.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 179.904 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.7 t -100.52 7.36 44.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.383 -179.904 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.2 36.01 9.64 Favored Glycine 0 C--N 1.333 0.41 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.784 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 6.7 mmm180 -108.17 -37.58 5.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.838 0.351 . . . . 0.0 111.121 -179.837 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.5 p -153.03 161.89 41.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.966 -179.922 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.1 m -70.82 -28.5 64.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.807 179.846 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -63.19 84.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.8 t -54.95 108.27 1.11 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.96 -179.899 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.23 177.63 6.37 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.436 2.091 . . . . 0.0 112.327 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.6 m -108.88 54.84 0.65 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -105.68 87.62 2.36 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.937 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.412 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 54.2 Cg_endo -69.73 125.62 12.38 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.567 2.178 . . . . 0.0 112.279 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.414 -1.215 . . . . 0.0 112.461 179.998 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.814 0.34 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 2.4 mtp 60.27 165.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -76.9 -176.4 3.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m -96.54 6.02 49.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.343 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.8 p 49.47 71.47 0.38 Allowed 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.834 0.35 . . . . 0.0 111.07 -179.888 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.92 153.67 24.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.873 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.71 -164.74 30.4 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.521 -179.875 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -76.03 -45.19 0.23 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.625 2.217 . . . . 0.0 112.645 -179.88 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -95.05 52.46 1.45 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.051 -179.815 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.7 m -132.9 145.83 51.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.826 179.915 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.04 74.43 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.799 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 68.98 -68.28 0.19 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.005 -179.919 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.7 t -144.59 30.29 1.22 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.4 mptt -152.4 130.12 11.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.795 179.957 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.02 121.61 5.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.933 179.907 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.0 155.3 3.26 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.955 -179.733 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -65.1 144.84 83.25 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.595 2.196 . . . . 0.0 112.385 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.12 165.63 1.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.011 179.889 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.404 ' O ' ' CD2' ' A' ' 31' ' ' TYR . . . 61.78 17.77 55.18 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.631 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.0 m -110.57 111.76 23.21 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.839 0.352 . . . . 0.0 110.853 179.897 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 t -56.79 167.37 0.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 -179.923 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 90.8 m -107.59 -42.13 4.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.414 ' CZ3' HG22 ' A' ' 25' ' ' THR . 31.9 t90 -129.1 83.85 2.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.951 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.5 ptt180 -60.96 136.57 58.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.414 HG22 ' CZ3' ' A' ' 23' ' ' TRP . 2.5 t -171.44 161.76 6.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -88.66 54.08 2.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -152.08 -45.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 179.949 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.8 t -166.96 136.17 2.85 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.0 p -116.93 149.46 40.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 23.0 m-70 -128.26 80.1 1.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.404 ' CD2' ' O ' ' A' ' 19' ' ' GLY . 27.6 m-85 -60.1 132.24 53.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.3 m -76.22 173.13 11.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.904 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.3 p -116.7 14.4 15.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.225 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.24 24.41 15.73 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.737 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 42.5 mtm-85 -114.41 -33.17 5.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.73 0.3 . . . . 0.0 110.986 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 m -142.05 156.47 45.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.1 m -70.38 -26.81 63.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.762 179.879 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -69.33 157.74 36.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 179.933 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.54 93.06 30.99 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -67.64 178.19 3.48 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.495 2.13 . . . . 0.0 112.246 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.6 m -84.55 57.18 4.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -123.71 76.91 56.46 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.79 -27.09 26.77 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.592 2.195 . . . . 0.0 112.357 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.402 -1.221 . . . . 0.0 112.494 -179.969 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.832 0.349 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 4.7 mtp -95.58 82.38 3.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -104.24 114.8 29.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 39.6 m -105.27 111.51 24.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.955 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.1 t -72.64 64.48 0.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.748 179.854 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.66 108.47 0.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.004 -179.845 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.63 -162.85 13.49 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.47 179.958 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.0 -33.46 3.63 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.623 2.215 . . . . 0.0 112.563 -179.8 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.0 t -102.22 29.88 4.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.256 -179.809 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 17.9 m -146.65 109.11 4.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.971 179.907 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.8 ttt85 -119.78 139.22 52.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.728 179.844 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 64.4 14.64 8.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.327 -179.927 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 23.5 t 72.58 50.31 0.18 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.844 -179.833 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -148.02 109.56 4.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.57 179.789 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 mt -45.05 104.0 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.007 -179.95 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt -46.88 149.65 1.49 Allowed Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.122 -179.689 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -65.55 143.83 76.77 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.517 2.145 . . . . 0.0 112.345 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.01 154.99 4.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.139 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.408 ' O ' ' CD1' ' A' ' 31' ' ' TYR . . . 86.39 -6.3 82.37 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.731 -179.819 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.4 m -93.01 113.85 26.24 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.831 0.348 . . . . 0.0 110.845 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 t -58.96 168.32 1.33 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.973 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.9 p -153.79 31.58 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.414 ' CH2' HG22 ' A' ' 27' ' ' VAL . 21.5 t90 -174.19 85.38 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -104.35 123.37 47.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.959 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.7 m -155.89 30.94 0.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.6 m 59.6 29.99 19.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.414 HG22 ' CH2' ' A' ' 23' ' ' TRP . 6.9 m -116.42 -37.48 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.187 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.0 t -177.25 -169.75 0.25 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.941 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.4 86.72 2.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -77.36 80.72 3.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.408 ' CD1' ' O ' ' A' ' 19' ' ' GLY . 31.4 m-85 -65.18 141.01 58.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 14.8 m -76.19 166.14 23.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.4 p -109.33 11.15 25.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.234 179.911 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 51.47 50.43 41.72 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.752 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.2 mtp85 -151.02 -46.18 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.867 0.365 . . . . 0.0 111.061 -179.922 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 40.3 t -135.08 152.83 52.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.948 -179.943 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.71 -24.94 62.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.841 179.917 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -59.06 105.71 0.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.97 -179.93 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 84.6 m -63.07 111.58 5.2 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.4 159.77 4.14 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.397 2.065 . . . . 0.0 112.305 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.1 m -99.37 31.94 2.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -148.73 152.26 37.17 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.06 137.85 35.53 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.516 2.144 . . . . 0.0 112.327 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.394 -1.226 . . . . 0.0 112.517 -179.991 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.876 0.37 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -146.24 167.97 22.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -135.2 104.53 5.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.8 m 60.99 112.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.966 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 m -70.31 103.42 2.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.09 157.8 21.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.93 -169.27 25.35 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.511 -179.88 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -74.48 -45.11 0.34 Allowed 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.649 2.232 . . . . 0.0 112.516 -179.865 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 50.6 t -86.63 57.81 4.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.963 0.411 . . . . 0.0 111.004 -179.849 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.0 m -136.21 134.53 38.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.63 179.865 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -34.62 76.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 165.33 -30.24 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.085 -179.9 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -155.36 26.3 0.41 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.868 179.918 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -173.19 169.88 4.45 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.904 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.401 ' CD2' ' N ' ' A' ' 37' ' ' CYS . 67.3 mt -60.67 137.67 58.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.029 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.8 mttm -72.37 155.46 91.34 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.519 179.754 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -58.8 128.93 29.84 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.534 2.156 . . . . 0.0 112.176 179.924 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.24 116.72 2.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.287 -179.959 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.31 22.18 5.94 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.508 -179.854 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.8 m -112.55 115.92 29.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.844 0.354 . . . . 0.0 110.868 -179.976 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.7 t -59.76 145.74 44.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 71.6 m -84.74 -66.76 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.447 ' CZ3' ' CG2' ' A' ' 25' ' ' THR . 26.6 t90 -106.72 146.68 30.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.977 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.5 mtt180 -111.84 143.14 43.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.447 ' CG2' ' CZ3' ' A' ' 23' ' ' TRP . 1.8 t -176.77 162.9 2.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 t -90.96 51.18 1.91 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.85 -179.989 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -152.0 -45.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.164 179.992 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.3 m -156.16 179.99 8.7 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.945 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.8 t -150.72 146.5 26.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -109.24 81.24 1.41 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.981 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -67.53 112.24 4.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.4 t -72.58 146.69 46.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 179.966 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.3 t -95.41 13.18 26.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.356 -179.926 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.47 25.41 20.26 Favored Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.755 179.975 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.6 ttt85 -107.03 -34.27 7.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.815 0.34 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.6 p -146.43 151.23 37.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.401 ' N ' ' CD2' ' A' ' 15' ' ' LEU . 1.1 m -72.32 -22.47 61.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.957 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -81.93 102.37 10.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.823 179.924 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.3 m -59.03 149.41 66.63 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.972 -179.955 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.63 177.59 6.02 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.592 2.194 . . . . 0.0 112.34 179.944 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 86.6 p -88.62 -31.49 18.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 179.943 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 31.5 p90 -86.39 149.04 48.45 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.1 -62.07 0.39 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.572 2.181 . . . . 0.0 112.321 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.38 -1.233 . . . . 0.0 112.508 -179.986 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.798 0.332 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.23 162.17 29.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -160.11 35.71 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 180.0 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 79.3 m 60.44 110.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.4 ' CG2' ' CB ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -64.15 147.68 51.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.81 179.932 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.6 p -126.39 128.89 47.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.032 -179.859 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.6 -166.29 33.78 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.521 179.926 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -78.86 -44.79 0.13 Allowed 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.74 2.293 . . . . 0.0 112.811 -179.712 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -62.69 -33.47 75.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.076 -179.645 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.0 p -102.6 144.86 30.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.738 179.825 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.89 -81.92 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.811 -179.682 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -140.7 8.99 2.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.509 -179.92 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.2 t -176.63 -29.01 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -179.915 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.8 tttp -129.42 144.28 51.18 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.957 0.408 . . . . 0.0 111.183 -179.489 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.52 124.29 17.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.535 179.623 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.1 mttm -57.67 156.88 15.89 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.683 -179.797 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -55.24 141.69 80.22 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.524 2.149 . . . . 0.0 112.08 179.905 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.53 113.43 0.89 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.232 -179.97 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 138.56 -12.67 3.47 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.681 -179.902 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.6 m -70.81 117.32 12.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.831 0.348 . . . . 0.0 110.682 179.955 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.1 148.54 47.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.094 -179.783 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -83.64 -31.15 26.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -140.62 -66.59 0.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.1 ttt-85 60.93 107.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 39.9 p -149.99 36.43 0.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.818 -179.978 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.8 t 78.19 -56.38 0.48 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.068 -179.918 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -82.92 -30.86 8.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.133 -179.976 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 97.8 p -118.88 159.89 22.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.2 p -176.86 118.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.408 ' CE1' ' HA ' ' A' ' 43' ' ' PRO . 12.9 m-70 -126.03 90.86 3.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.963 179.989 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -67.64 147.34 52.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.96 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 9.7 t -82.62 134.42 35.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.2 t -72.19 -9.44 58.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.249 179.944 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.16 36.8 90.74 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.558 -0.83 . . . . 0.0 112.301 -179.846 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -118.43 -38.09 3.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.766 0.317 . . . . 0.0 111.025 -179.903 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.0 p -162.18 172.46 15.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.011 -179.941 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.4 ' CB ' ' CG2' ' A' ' 5' ' ' THR . 15.5 t -72.7 -20.62 61.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.075 179.905 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -62.02 88.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.81 179.995 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.56 145.61 76.16 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.02 163.81 1.95 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.53 2.153 . . . . 0.0 112.369 179.938 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.6 p -109.97 -30.81 7.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.916 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 27.3 p90 -84.43 161.28 54.69 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.408 ' HA ' ' CE1' ' A' ' 30' ' ' HIS . 52.9 Cg_exo -52.53 -175.04 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.563 2.176 . . . . 0.0 112.389 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.423 -1.21 . . . . 0.0 112.512 -179.982 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 120.842 0.354 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 2.7 mmt -104.34 -33.1 8.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -175.22 -40.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m 66.33 9.06 6.11 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.629 179.969 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 52.01 72.11 0.41 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.826 0.346 . . . . 0.0 111.015 179.919 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -87.13 150.25 24.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.818 -179.978 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.16 -166.42 28.5 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.617 -179.851 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_exo -66.15 -60.02 0.12 Allowed 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.887 2.391 . . . . 0.0 112.653 -179.667 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 98.1 m -82.91 56.79 3.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.935 0.398 . . . . 0.0 111.232 -179.582 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.9 m -134.26 162.82 31.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.761 179.797 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.0 ttt-85 -132.34 77.7 1.77 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.926 -179.947 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 69.99 -65.49 0.31 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.897 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.4 t -150.98 31.17 0.62 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.056 -179.738 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -156.77 145.94 20.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.85 128.74 34.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 179.964 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -57.4 159.93 7.95 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.942 -179.87 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.8 146.62 54.85 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.553 2.169 . . . . 0.0 112.374 179.98 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.07 103.44 2.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.024 179.87 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.64 31.53 1.34 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.634 179.971 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 1.2 m -98.43 172.3 7.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.768 0.318 . . . . 0.0 110.805 179.916 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.9 113.7 19.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.871 -179.967 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.5 p -90.18 -34.74 15.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 57.4 t90 -167.76 95.86 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.3 ptt85 -100.32 154.55 18.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -136.63 -177.08 4.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.14 -32.94 33.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 179.972 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.8 m -84.3 -32.37 8.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.096 179.957 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.4 t -146.56 -170.61 3.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -158.95 126.89 5.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 29.0 m170 -100.04 101.65 12.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -105.0 147.66 27.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.0 m -88.34 134.89 33.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.799 179.93 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.8 t -95.42 18.68 12.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.155 -179.984 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.01 24.84 15.55 Favored Glycine 0 CA--C 1.518 0.27 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.761 179.957 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -116.95 -37.76 3.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.787 0.327 . . . . 0.0 110.943 -179.915 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.9 m -142.69 151.82 41.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.3 m -72.44 -22.6 61.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.944 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -78.26 115.33 17.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.81 179.914 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.0 m -61.71 153.67 70.15 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.09 150.93 66.91 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.533 2.156 . . . . 0.0 112.327 179.95 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 95.4 p -98.47 35.53 1.78 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -180.0 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.412 ' CD1' ' N ' ' A' ' 42' ' ' TYR . 3.7 p90 -158.08 154.62 24.6 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.18 163.45 1.57 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.548 2.166 . . . . 0.0 112.295 179.987 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.027 0 CA-C-O 118.372 -1.238 . . . . 0.0 112.516 179.988 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.325 0 CA-C-O 120.792 0.329 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 2.6 mmt -79.3 127.33 31.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -60.75 110.33 1.28 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.978 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 41.3 m 61.02 113.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.961 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.7 p -59.04 112.87 1.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.732 179.832 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -113.24 143.84 43.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.926 -179.985 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.03 -156.91 26.98 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.508 -179.908 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.13 -44.65 0.25 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.642 2.228 . . . . 0.0 112.59 -179.812 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.7 m -95.89 57.64 1.84 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.097 -179.831 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.404 ' HB3' ' HA ' ' A' ' 15' ' ' LEU . 0.5 OUTLIER -173.86 135.08 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.88 179.838 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -133.39 150.83 51.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.627 179.878 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 66.74 -74.79 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -166.95 30.39 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.17 -179.831 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -164.33 158.81 19.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.806 0.336 . . . . 0.0 110.941 179.957 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.404 ' HA ' ' HB3' ' A' ' 10' ' ' CYS . 4.0 pp -58.06 138.44 56.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.799 179.924 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.34 165.75 4.88 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.809 -179.884 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -65.23 143.16 76.41 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.557 2.171 . . . . 0.0 112.236 179.927 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.6 157.95 4.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.093 -179.989 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 62.03 24.17 64.66 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.566 -179.951 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 66.4 m -118.35 124.63 48.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.809 0.337 . . . . 0.0 110.833 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 t -57.38 146.33 29.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.0 -179.97 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.6 p -107.14 -40.62 5.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 -179.973 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 19.7 t90 -96.26 -70.83 0.7 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.978 179.978 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 61.15 155.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.922 179.985 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 15.3 p -156.71 -78.19 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.971 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.93 -39.27 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.919 179.943 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.1 p -104.33 -32.34 2.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.065 179.991 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.9 m -125.0 107.4 10.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 179.959 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.8 m -100.09 164.85 11.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.982 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -133.35 -176.29 4.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -153.65 125.28 7.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.8 t -83.76 154.05 23.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.8 t -94.57 1.64 55.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.357 179.995 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 55.32 39.24 71.5 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.608 -179.959 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -117.72 -37.13 3.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.789 0.328 . . . . 0.0 111.084 -179.856 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.1 t -161.46 173.91 14.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.951 -179.95 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 98.9 m -69.92 -28.39 65.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.809 179.903 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -62.17 84.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.9 t -63.14 134.14 95.7 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.826 179.961 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.73 172.71 13.05 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.47 2.113 . . . . 0.0 112.287 179.984 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.0 t -114.33 35.13 4.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -106.12 86.7 2.12 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 179.954 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.99 97.13 0.64 Allowed 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.564 2.176 . . . . 0.0 112.288 179.984 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.087 0 CA-C-O 118.404 -1.22 . . . . 0.0 112.477 179.972 . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.801 0.334 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.6 ptt? -162.23 35.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.98 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -142.01 152.7 43.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.69 -33.48 72.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 63.94 135.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.791 -179.922 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.43 138.88 52.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.983 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.72 -165.61 33.61 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.527 -179.988 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.36 -25.87 21.19 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.649 2.233 . . . . 0.0 112.494 -179.943 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -97.93 29.71 3.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.056 -179.888 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 62.5 m -124.38 140.35 53.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.663 179.841 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.2 mtt-85 -84.66 -89.37 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.077 -179.782 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -119.13 -22.0 7.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.659 0.266 . . . . 0.0 111.222 -179.917 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 179.43 37.96 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.979 -179.882 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? -167.07 147.44 5.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.931 -179.954 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.54 118.59 5.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 179.93 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.4 mtmt -56.66 155.35 14.69 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.924 -179.915 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -68.7 145.72 64.34 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.567 2.178 . . . . 0.0 112.33 179.997 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.42 123.12 14.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.112 179.978 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.91 -25.43 5.83 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.493 -179.899 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 3.2 m -67.31 120.73 14.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.795 0.331 . . . . 0.0 110.874 179.963 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.413 HG21 ' CD2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -80.54 140.36 35.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.939 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 15.8 p -104.61 -42.51 5.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.957 -179.989 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -115.03 144.81 43.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -176.27 92.05 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.966 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.9 t -81.36 -36.95 29.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.5 t -178.53 -39.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.4 p -117.74 -37.4 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.135 -179.973 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 m -62.16 155.78 23.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.961 -179.977 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 p -167.42 110.73 0.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 32.1 m-70 -119.74 96.07 5.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.413 ' CD2' HG21 ' A' ' 21' ' ' THR . 40.1 m-85 -73.91 154.37 39.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 35.4 m -74.41 147.22 42.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 179.952 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 20.7 p -92.95 6.73 46.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.272 179.935 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 51.73 27.82 20.98 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.778 179.887 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -136.92 -45.47 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.907 0.384 . . . . 0.0 111.135 -179.968 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 m -123.31 140.51 52.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.7 t -76.27 -13.31 60.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.27 179.898 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -83.82 102.54 12.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.824 0.345 . . . . 0.0 110.82 179.965 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -58.57 148.47 65.98 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.47 177.41 6.09 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.576 2.184 . . . . 0.0 112.303 -179.96 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.4 t -105.34 -31.19 9.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.953 179.928 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 28.2 p90 -84.84 149.98 54.84 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 179.967 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.0 -178.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.569 2.18 . . . . 0.0 112.332 -179.971 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.378 -1.234 . . . . 0.0 112.542 179.993 . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.843 0.354 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 2.0 tpp -99.62 150.62 22.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.995 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 60.56 158.1 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -158.1 124.07 4.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.975 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.66 107.64 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.736 179.839 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.15 172.19 7.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.34 165.3 14.11 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.456 -179.991 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -52.97 -25.57 28.54 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.59 2.193 . . . . 0.0 112.373 179.971 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.6 t -107.64 25.91 10.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.097 -179.893 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.7 m -158.88 109.21 2.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 -124.79 144.41 50.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.675 179.839 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 64.04 14.72 8.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.343 -179.843 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.1 m 71.7 48.08 0.32 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.922 -179.817 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -155.84 125.32 6.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.66 179.831 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -47.43 121.81 4.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.94 -179.906 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -49.58 151.62 2.82 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.067 -179.735 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.0 117.17 3.47 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.534 2.156 . . . . 0.0 112.374 -179.902 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.13 114.59 2.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.047 179.801 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.48 15.41 5.45 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.784 -179.926 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.8 t -114.04 173.93 6.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.632 0.253 . . . . 0.0 110.459 179.81 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.1 t -74.55 164.56 26.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.787 179.958 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.38 87.31 2.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.444 ' CH2' ' CG2' ' A' ' 25' ' ' THR . 1.0 OUTLIER 58.73 173.73 0.07 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.97 179.956 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -161.13 110.15 1.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.444 ' CG2' ' CH2' ' A' ' 23' ' ' TRP . 0.8 OUTLIER -122.49 29.92 6.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 -179.992 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 57.64 22.32 8.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.228 -179.977 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.7 p -177.97 36.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.901 0.381 . . . . 0.0 111.102 179.914 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m 176.72 72.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.741 179.96 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.2 p -107.03 126.83 52.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.967 -179.92 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 -138.83 -162.94 1.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.584 179.897 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -136.95 145.2 43.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.875 0.369 . . . . 0.0 111.153 -179.934 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.0 m -86.94 125.92 34.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.739 179.899 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.2 p -91.19 14.57 13.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.961 179.641 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.77 43.84 16.77 Favored Glycine 0 C--N 1.334 0.425 0 C-N-CA 120.894 -0.669 . . . . 0.0 112.83 179.963 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -139.42 -46.4 0.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 111.165 -179.806 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.7 m -131.54 148.43 52.62 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.025 -179.833 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.1 m -72.67 -20.55 61.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.098 179.882 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -77.59 107.93 10.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 89.9 m -57.46 109.68 1.93 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.5 177.37 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.401 2.067 . . . . 0.0 112.271 179.97 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.42 31.54 3.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.862 -179.974 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -108.18 80.18 1.05 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.92 174.4 9.7 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.617 2.211 . . . . 0.0 112.278 -179.977 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.406 -1.219 . . . . 0.0 112.51 179.994 . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.863 0.363 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.9 139.52 37.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.978 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -149.71 167.9 25.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 19.6 m -91.05 -30.89 16.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.975 179.988 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.72 63.5 1.31 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.742 -179.885 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.63 142.5 27.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.109 -179.849 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.76 178.23 37.95 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.402 -179.961 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -69.0 -28.08 29.31 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.579 2.186 . . . . 0.0 112.275 179.987 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 37.2 t -100.56 40.25 1.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.978 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.401 ' HB2' ' HB3' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -144.1 112.93 6.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.916 -179.927 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.94 76.12 0.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.685 179.836 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 70.5 -65.14 0.34 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.98 -179.849 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m -147.66 28.88 0.94 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -141.77 143.89 33.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.828 -179.947 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.62 113.82 2.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.968 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.92 132.79 83.39 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.762 179.948 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -50.57 140.18 36.8 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.461 2.107 . . . . 0.0 112.42 -179.914 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.17 148.11 23.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.959 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.96 -25.0 27.35 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.462 -179.888 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.4 m -69.0 109.39 3.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.841 0.353 . . . . 0.0 110.826 -179.993 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.4 HG21 ' CD1' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -77.51 133.76 38.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.841 -179.944 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 26.3 p -79.93 -41.05 26.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 -179.957 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.73 -69.57 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.967 179.958 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.01 80.61 0.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.876 179.937 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.6 p -105.49 -77.96 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 179.995 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 p -177.49 -39.41 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.932 179.935 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.0 p -90.08 -31.15 5.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.077 179.974 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.6 p -123.22 173.86 7.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 m -163.26 97.66 0.91 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -87.14 76.59 9.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.4 ' CD1' HG21 ' A' ' 21' ' ' THR . 38.6 m-85 -67.07 155.23 39.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.4 m -80.23 144.57 32.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.792 179.948 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.7 p -96.42 11.07 36.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.16 179.955 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.85 27.48 4.86 Favored Glycine 0 C--N 1.332 0.344 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.848 179.899 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 20.1 mtt-85 -128.81 -45.09 1.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.91 0.386 . . . . 0.0 111.022 -179.907 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 37.9 m -115.47 166.01 12.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.83 179.997 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.401 ' HB3' ' HB2' ' A' ' 10' ' ' CYS . 16.3 m -109.0 21.35 17.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.998 179.913 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -127.44 110.59 12.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.723 179.784 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.79 145.44 51.98 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.044 -179.843 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -52.85 174.8 0.1 OUTLIER 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.584 2.189 . . . . 0.0 112.331 179.979 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 92.8 p -106.81 -31.57 8.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.94 179.934 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -99.26 156.43 35.44 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.01 134.38 27.32 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.576 2.184 . . . . 0.0 112.31 -179.986 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.375 -1.236 . . . . 0.0 112.523 179.995 . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.822 0.344 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -156.15 35.79 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 179.933 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -129.11 172.63 11.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 85.8 m -106.44 108.68 20.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -71.17 65.88 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.649 179.771 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -48.67 133.63 16.84 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.319 -179.748 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.05 -170.15 43.25 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.386 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -67.27 -43.14 6.53 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.538 2.159 . . . . 0.0 112.352 179.984 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.6 t -93.21 48.23 1.31 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.831 -179.994 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -144.72 117.53 8.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.734 -179.928 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.8 mmt180 -64.31 -87.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.837 -179.949 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -115.65 -25.93 7.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.803 0.335 . . . . 0.0 110.791 179.755 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 37.7 t -179.79 36.42 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.772 179.993 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -157.05 162.06 39.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.856 0.36 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.7 mt -70.5 118.94 13.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.759 179.905 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.5 mttm -53.87 165.48 0.75 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.705 179.957 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -49.9 123.5 10.87 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.465 2.11 . . . . 0.0 112.399 -179.889 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -49.35 108.48 0.2 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.145 179.945 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.24 26.45 4.6 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.223 -179.667 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.3 m -105.14 115.08 29.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.82 0.343 . . . . 0.0 110.835 -179.881 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 t -59.16 159.51 7.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.967 -179.999 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.2 p -120.35 -42.31 2.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 179.992 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -130.07 95.96 4.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.963 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -127.4 112.4 14.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.89 -31.86 9.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 m -176.31 -77.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.988 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.1 p -82.53 -32.54 10.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.042 -179.985 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.8 m -74.42 149.23 40.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.6 t -163.76 95.54 0.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.419 ' CD2' ' HA ' ' A' ' 43' ' ' PRO . 11.6 m170 -94.73 79.33 3.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.945 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -65.9 138.01 57.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.991 -179.958 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 14.0 t -80.29 158.98 25.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.83 179.882 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.5 t -106.95 14.42 26.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.272 -179.985 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.35 24.55 16.83 Favored Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.791 179.96 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.3 mtp85 -114.33 -37.82 4.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.886 0.374 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.0 m -129.57 160.55 32.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.704 179.894 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.4 m -95.58 11.68 32.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.048 179.865 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.7 mp0 -130.23 114.66 15.94 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.657 179.763 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 9.8 m -56.65 136.62 77.79 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.031 -179.819 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.51 177.91 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.411 2.074 . . . . 0.0 112.261 179.993 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.5 m -74.77 -30.85 61.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.917 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 21.1 p90 -96.43 156.86 36.33 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.966 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.419 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 56.4 Cg_endo -70.52 179.67 3.93 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.546 2.164 . . . . 0.0 112.342 179.983 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.347 -1.252 . . . . 0.0 112.537 -179.963 . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.782 0.325 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 35.8 tpp 60.56 110.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.94 -179.97 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.67 169.76 10.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 -179.989 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 57.5 m -105.54 107.81 18.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.2 t -82.05 71.83 9.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.526 179.715 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -45.89 127.34 8.08 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.499 -179.652 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.78 -166.99 31.32 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.308 179.997 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -73.99 -28.49 11.06 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.573 2.182 . . . . 0.0 112.281 179.991 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.95 30.67 4.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 179.879 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.61 111.19 17.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.632 179.978 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.92 -87.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.957 -179.812 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -119.02 -22.65 7.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.725 0.297 . . . . 0.0 111.107 179.977 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 176.2 36.38 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.851 -179.891 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.7 mttm -166.23 150.83 7.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.93 0.395 . . . . 0.0 111.045 -179.913 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 16.2 tp -56.71 123.54 15.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.976 179.905 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -62.78 162.01 24.62 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.308 179.435 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -52.46 127.76 25.3 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.396 2.064 . . . . 0.0 112.25 -179.981 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.18 145.59 5.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.069 179.847 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.413 ' O ' ' CD1' ' A' ' 31' ' ' TYR . . . 73.38 14.41 79.37 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.613 -179.834 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 94.3 m -101.12 110.04 22.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.864 0.364 . . . . 0.0 110.801 179.937 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 t -51.9 131.69 31.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.177 179.949 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 28.1 p -100.55 -30.9 11.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 3.9 t90 -93.68 -61.8 1.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.015 0.436 . . . . 0.0 110.864 179.916 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.8 ttm-85 62.39 119.78 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.951 179.958 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -170.0 178.16 4.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 t -98.59 30.26 3.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.949 179.966 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -113.4 -33.12 2.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 -179.941 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.8 t -178.39 -38.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.6 p 62.88 146.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.449 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.6 m-70 -119.87 -169.36 1.76 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.413 ' CD1' ' O ' ' A' ' 19' ' ' GLY . 15.1 m-85 -149.83 148.19 28.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.805 179.913 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.14 132.46 51.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.97 0.414 . . . . 0.0 110.741 179.999 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.8 t -75.55 -3.36 33.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.225 179.752 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 56.06 24.31 42.67 Favored Glycine 0 C--N 1.332 0.337 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.565 -179.707 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -126.55 -44.21 1.7 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.872 0.368 . . . . 0.0 111.103 -179.944 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.0 p -144.71 161.55 38.92 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.795 179.891 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 94.7 m -72.3 -22.94 61.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.942 179.99 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -74.34 99.3 3.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.701 179.834 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.3 m -58.69 144.45 80.15 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.001 -179.874 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.414 ' HB2' ' CD2' ' A' ' 42' ' ' TYR . 64.8 Cg_endo -73.71 177.79 7.6 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.61 2.207 . . . . 0.0 112.326 -179.984 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 95.6 p -107.17 31.25 5.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.948 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.414 ' CD2' ' HB2' ' A' ' 40' ' ' PRO . 14.7 m-85 -105.32 149.59 37.91 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.951 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.83 -26.58 27.09 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.55 2.167 . . . . 0.0 112.376 179.963 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.358 -1.245 . . . . 0.0 112.496 179.969 . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.845 0.355 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -148.93 139.13 22.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 60.93 156.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.555 ' CB ' ' HA ' ' A' ' 13' ' ' CYS . 1.5 p -156.94 107.6 2.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.086 179.993 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.07 95.81 1.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.698 179.877 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.81 105.01 0.08 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.274 -179.858 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.18 -152.62 5.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.444 -179.965 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.33 -37.93 2.97 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.608 2.205 . . . . 0.0 112.356 -179.981 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -84.97 -28.72 25.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.047 -179.912 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 16.0 m -102.78 140.44 37.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.851 179.944 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.1 ttt85 -150.84 -55.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.223 -179.93 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -90.51 12.93 17.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.385 -179.88 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.555 ' HA ' ' CB ' ' A' ' 4' ' ' CYS . 7.9 t 79.08 30.23 0.33 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.996 0.427 . . . . 0.0 110.704 -179.578 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.6 mmtt -146.11 106.0 3.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.057 179.564 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -40.47 113.31 0.35 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.287 -179.439 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -46.59 164.41 0.22 Allowed Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.199 -179.695 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -60.72 147.28 95.48 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.671 2.247 . . . . 0.0 112.367 -179.942 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.53 167.88 1.81 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.966 179.804 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 59.53 19.26 47.41 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.635 -179.893 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 93.6 m -102.83 103.67 13.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.845 0.355 . . . . 0.0 110.696 179.909 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.0 143.89 41.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.996 -179.912 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 33.6 m -84.44 -58.75 2.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -92.39 -79.01 0.4 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.97 83.76 0.12 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 179.99 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.8 p -115.18 -40.82 3.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.72 -38.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.949 179.966 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.8 t -111.89 -34.36 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.077 -179.986 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.99 146.52 27.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.4 t -165.36 78.27 0.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -102.68 102.47 12.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -76.05 143.65 41.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.3 m -83.59 145.64 28.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.952 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.0 p -103.33 22.71 13.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 179.836 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.04 27.39 22.14 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.69 -179.943 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -119.87 -69.87 0.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.94 0.4 . . . . 0.0 110.99 -179.936 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.2 t -101.82 146.53 27.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.832 -179.936 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.2 m -72.89 -17.89 61.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.021 179.947 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -92.54 111.38 22.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.818 0.342 . . . . 0.0 110.938 -179.975 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.6 m -61.61 110.28 2.99 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.808 179.985 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -68.59 176.99 5.16 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.46 2.106 . . . . 0.0 112.286 179.965 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.36 57.22 4.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.88 -179.997 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -116.18 81.54 10.53 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.26 157.59 6.38 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.52 2.147 . . . . 0.0 112.359 179.975 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.371 -1.238 . . . . 0.0 112.529 -179.977 . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.85 0.357 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.9 mtt 60.42 -176.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -122.51 114.97 21.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 82.3 m -108.25 -29.08 9.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.0 179.969 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.3 t 43.3 73.55 0.14 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.408 -179.922 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.7 p -58.47 129.45 42.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.953 -179.948 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.0 177.65 45.19 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.462 179.988 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -79.12 55.53 5.65 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.651 2.234 . . . . 0.0 112.508 -179.901 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -174.35 35.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.013 179.933 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.8 p -171.27 112.03 0.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.911 179.83 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.2 89.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.959 -179.958 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 68.71 -67.82 0.2 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.092 179.983 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 47.1 t -151.31 45.4 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.93 -179.89 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -147.39 119.5 8.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.761 179.87 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 35.7 mt -48.63 108.18 0.17 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.94 179.983 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.49 147.92 7.35 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.866 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -52.31 128.04 26.05 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.687 2.258 . . . . 0.0 112.198 179.955 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.75 116.87 2.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.266 -179.987 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.66 23.87 5.19 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.484 -179.924 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 69.5 m -110.95 123.01 49.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.793 0.33 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.79 154.56 18.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.9 p -123.07 -43.14 2.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.989 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 24.3 t90 -131.14 134.42 46.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.943 179.984 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -175.23 117.1 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 -179.998 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.2 t -106.55 -33.14 7.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.942 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 p -177.72 -39.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.932 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -110.47 -31.61 2.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.099 -179.987 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.9 t -74.6 149.32 40.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.5 t -173.54 103.35 0.12 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.439 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 2.7 m-70 -130.61 125.24 33.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.956 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -96.4 137.22 35.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.4 172.13 11.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.947 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.9 t -112.73 16.33 19.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.25 -179.977 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 53.57 24.6 25.09 Favored Glycine 0 C--N 1.332 0.325 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.766 179.944 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 5.1 mmm180 -111.09 -32.93 6.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.828 0.347 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.4 m -143.7 172.97 12.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.7 t -103.42 16.99 25.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.899 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -123.24 104.2 9.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.868 179.93 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.5 m -59.4 148.18 74.03 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.43 177.54 6.61 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.541 2.16 . . . . 0.0 112.336 -179.993 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.2 m -91.72 -31.6 15.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 28.9 p90 -79.19 154.26 77.17 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.41 ' HA ' ' CE1' ' A' ' 30' ' ' HIS . 53.8 Cg_exo -52.24 153.48 12.87 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.569 2.179 . . . . 0.0 112.281 -179.967 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.389 -1.228 . . . . 0.0 112.465 -179.962 . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.843 0.354 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 40.8 mtm 60.38 179.84 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.96 -179.962 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 60.49 159.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.994 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.2 m -101.55 -30.3 11.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.7 t 43.43 70.79 0.28 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.381 -179.939 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 48.1 p -53.76 113.02 1.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.113 -179.911 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.73 173.23 38.07 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.532 -179.957 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.78 -22.02 27.85 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.616 2.211 . . . . 0.0 112.554 -179.978 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.01 24.56 5.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.257 -179.89 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 81.1 m -137.22 145.89 44.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.814 179.908 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -82.98 -85.47 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.045 -179.884 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -114.31 -25.34 8.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.963 -179.995 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 178.13 38.38 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.973 -179.939 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -157.11 142.8 17.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.943 -179.978 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.54 115.25 2.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.809 179.987 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.7 mttt -55.55 159.9 4.39 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.0 -179.959 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -68.43 146.09 67.27 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.533 2.155 . . . . 0.0 112.324 179.995 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.82 146.45 21.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.114 179.927 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.02 -22.72 39.42 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.544 -179.916 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.0 m -67.71 106.82 2.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.854 0.359 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.418 HG22 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -68.0 138.46 55.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.811 -179.978 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.1 p -117.45 -40.34 3.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.409 ' HB3' ' CD2' ' A' ' 30' ' ' HIS . 0.1 OUTLIER -93.6 85.12 4.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.997 . . . . . . . . 3 3 . 1 . 042 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.1 mtt-85 -117.26 114.46 23.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.965 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.9 p -136.54 31.92 2.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.0 m 60.69 31.45 20.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 179.974 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -140.93 -46.33 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 179.993 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -140.83 -176.24 4.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 m -147.87 121.11 8.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.409 ' CD2' ' HB3' ' A' ' 23' ' ' TRP . 11.4 m170 -105.49 82.77 1.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.948 179.981 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.418 ' CE2' HG22 ' A' ' 21' ' ' THR . 22.1 m-85 -60.16 150.52 29.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.999 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -80.1 145.96 32.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.2 p -98.08 13.48 30.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.912 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 48.97 27.21 6.45 Favored Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.765 179.975 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -121.3 -69.22 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.963 0.411 . . . . 0.0 111.111 -179.874 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.7 m -117.37 150.24 39.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.953 -179.887 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.76 -21.11 61.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.009 179.972 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -65.5 102.32 0.69 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 66.5 m -60.13 149.76 73.63 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 179.96 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.04 177.47 5.73 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.581 2.187 . . . . 0.0 112.312 179.978 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 t -123.89 35.61 4.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -161.92 156.21 18.92 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.999 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.98 127.04 13.86 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.592 2.195 . . . . 0.0 112.261 -179.994 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.487 179.974 . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.84 0.352 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.4 32.25 20.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.2 p30 -174.69 170.59 3.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.2 m 66.53 8.94 6.17 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.595 179.953 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 53.69 63.93 2.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.922 0.391 . . . . 0.0 110.88 -179.936 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.37 163.93 26.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.012 -179.859 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.16 179.64 24.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.426 -179.902 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -73.68 -26.96 13.2 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.55 2.167 . . . . 0.0 112.465 -179.938 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.0 t -111.8 68.15 0.66 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.001 0.429 . . . . 0.0 111.065 -179.913 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.6 m -135.29 -178.94 5.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.44 ' O ' ' CB ' ' A' ' 12' ' ' GLN . 5.9 ttt85 -129.52 43.32 3.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 179.991 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.44 ' CB ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER 87.0 -34.37 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.409 -179.991 . . . . . . . . 3 3 . 1 . 043 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.1 t -169.13 33.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.761 0.315 . . . . 0.0 110.963 179.976 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.1 ttpt -166.45 146.49 6.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.858 179.95 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.54 127.86 31.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.792 179.939 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.53 148.67 17.19 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.964 -179.904 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_exo -51.37 134.52 45.25 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.518 2.146 . . . . 0.0 112.342 -179.951 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.86 116.78 3.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.98 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.12 26.45 7.41 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.493 179.964 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.9 m -122.82 113.52 19.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.853 0.359 . . . . 0.0 110.838 -179.984 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 t -59.76 147.98 35.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 179.937 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 13.1 p -101.51 -32.36 10.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 8.3 t90 -131.12 110.13 10.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 179.973 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.01 141.05 51.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.36 35.04 0.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.972 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 60.32 34.14 20.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.952 -179.996 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.7 m -159.03 -44.69 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.206 179.998 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.0 p -127.05 120.42 28.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.6 p -131.56 110.35 10.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.432 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 4.6 m-70 -107.33 93.86 4.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -61.65 136.82 58.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.86 172.68 9.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 t -110.85 7.68 21.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.243 179.902 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 55.31 27.71 47.89 Favored Glycine 0 C--N 1.332 0.306 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.61 -179.966 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -124.51 -43.79 2.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.863 0.364 . . . . 0.0 111.038 -179.968 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.6 m -130.9 148.74 52.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.2 m -71.65 -22.02 61.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 179.92 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -79.85 108.38 13.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.7 m -59.77 147.17 79.33 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.31 177.58 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.565 2.176 . . . . 0.0 112.269 179.983 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.0 p -100.17 -31.29 11.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 54.6 p90 -87.66 160.41 47.45 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.414 ' HA ' ' CE1' ' A' ' 30' ' ' HIS . 53.4 Cg_exo -52.2 -176.9 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.61 2.207 . . . . 0.0 112.309 179.952 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.328 -1.262 . . . . 0.0 112.462 -179.998 . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.762 0.315 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 5.0 ttt 60.34 161.95 0.05 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -67.56 152.12 46.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 71.6 m -143.45 116.21 8.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.96 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.9 p -70.56 66.07 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.791 179.931 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -58.21 88.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.018 -179.93 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.28 -174.41 20.75 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 -179.977 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.3 -25.65 18.34 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.622 2.215 . . . . 0.0 112.426 -179.945 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 m -98.05 24.57 6.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.162 -179.876 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 33.2 m -145.07 150.02 36.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.785 179.872 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.97 126.52 36.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.027 -179.945 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 68.14 -68.9 0.16 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.11 179.907 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.8 t -175.62 36.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.927 -179.873 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -148.77 131.63 16.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.795 179.994 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.87 119.02 3.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 179.96 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.7 mtmt -51.05 163.41 0.51 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.038 -179.853 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_endo -62.09 139.83 80.7 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.554 2.169 . . . . 0.0 112.288 179.996 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.79 115.49 3.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.043 179.974 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.01 24.95 5.29 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 -179.982 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.4 m -95.83 115.9 28.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.795 0.331 . . . . 0.0 110.827 -179.985 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.85 120.77 12.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 -179.993 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.1 p -113.66 31.21 6.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.973 179.968 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -176.86 85.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -97.17 140.65 31.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.8 p -145.16 -77.71 0.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.2 t -177.1 -39.6 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.929 179.973 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.3 p -99.07 -32.82 3.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.06 180.0 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.26 -169.15 1.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.966 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -165.42 -43.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.952 179.973 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.411 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 17.8 m-70 59.48 107.64 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.928 179.929 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -98.09 150.84 21.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.6 t -82.72 160.8 22.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.998 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.5 t -101.87 4.55 40.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.355 179.955 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 54.78 24.21 32.48 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.714 -179.947 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 32.6 ttt180 -117.05 -39.48 3.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.84 0.352 . . . . 0.0 110.916 -179.952 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.0 154.49 43.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.828 179.984 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.56 -24.84 62.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.926 179.983 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -63.02 97.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 60.7 m -57.92 109.71 1.99 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.93 -179.992 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -52.71 177.41 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.399 2.066 . . . . 0.0 112.307 179.955 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.9 p -108.28 39.66 1.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -105.45 87.94 2.4 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.411 ' HB3' ' CE1' ' A' ' 30' ' ' HIS . 52.3 Cg_endo -69.35 122.72 9.51 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.529 2.153 . . . . 0.0 112.325 179.968 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.332 -1.26 . . . . 0.0 112.526 -179.98 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.75 0.309 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.71 89.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.781 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.42 152.74 20.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.61 -160.49 28.79 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.498 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.69 -44.24 0.3 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.692 2.261 . . . . 0.0 112.551 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -98.92 63.07 1.35 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.012 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.6 m -139.56 134.94 32.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 47.8 ttt180 -78.35 69.15 4.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.771 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 69.09 -67.54 0.21 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.054 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -136.21 34.79 2.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.876 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.6 mttm -158.62 173.13 17.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.522 HD21 ' HA ' ' A' ' 36' ' ' SER . 6.0 mt -73.69 122.82 22.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.849 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? -60.81 138.89 93.58 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.692 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -62.51 143.78 93.6 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.503 2.135 . . . . 0.0 112.265 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.463 ' HB2' ' C ' ' A' ' 33' ' ' THR . . . -53.7 140.33 29.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.237 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.78 -13.13 29.72 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.675 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.8 m -75.86 117.26 17.41 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.831 0.348 . . . . 0.0 110.913 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.578 HG23 ' CD1' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -61.83 145.01 53.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.922 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.2 p -160.59 30.28 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 24.7 t-105 -177.7 66.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.719 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -124.22 111.32 15.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.3 p -125.73 -167.25 1.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.826 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.68 -30.12 65.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.981 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.571 ' O ' HG12 ' A' ' 27' ' ' VAL . 15.9 t -133.17 31.39 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.083 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.76 154.52 40.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 97.1 p -176.62 89.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.957 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.47 ' O ' HG22 ' A' ' 21' ' ' THR . 2.1 m-70 -116.75 -178.15 3.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.578 ' CD1' HG23 ' A' ' 21' ' ' THR . 32.6 m-85 -143.24 168.96 18.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -86.48 152.67 22.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.463 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 2.4 t -104.85 16.24 26.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.179 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.54 25.66 21.39 Favored Glycine 0 C--N 1.332 0.327 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.701 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.7 ttt180 -112.19 -34.4 5.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.804 0.335 . . . . 0.0 110.926 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.522 ' HA ' HD21 ' A' ' 15' ' ' LEU . 40.5 m -145.82 158.07 43.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.6 m -71.04 -26.91 63.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -77.82 138.13 38.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.958 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.08 136.34 82.16 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.26 161.22 46.8 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.46 2.106 . . . . 0.0 112.29 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.0 t -98.63 35.97 1.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -148.87 150.44 32.75 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.01 164.63 34.08 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.555 2.17 . . . . 0.0 112.306 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.426 -1.208 . . . . 0.0 112.502 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.1 m . . . . . 0 CA--C 1.529 0.173 0 CA-C-O 120.572 0.225 . . . . 0.0 111.561 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.657 HG22 ' SG ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER 58.0 89.43 0.05 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.819 0.342 . . . . 0.0 110.846 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.7 p -109.96 148.57 31.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.984 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.17 -166.43 32.08 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.391 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -84.53 43.97 1.42 Allowed 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.791 2.328 . . . . 0.0 112.735 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.403 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 18.4 t -177.07 36.59 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.879 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m -130.24 150.72 51.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.457 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.2 mtp180 -90.77 -90.84 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.956 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -119.69 -22.82 6.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.719 0.295 . . . . 0.0 111.012 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 37.2 t -177.79 36.65 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.759 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -167.06 148.1 5.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.926 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.825 HD11 ' HA ' ' A' ' 36' ' ' SER . 0.2 OUTLIER -57.51 121.66 10.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.874 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.28 150.95 50.67 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -65.38 148.74 88.42 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.592 2.195 . . . . 0.0 112.331 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.35 155.16 2.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.192 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.8 -20.73 47.31 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.537 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.3 m -70.75 112.57 7.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.843 0.354 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.55 HG23 ' CD2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -77.46 135.83 38.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.808 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.9 p -106.16 -31.92 8.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -143.78 103.88 4.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -142.36 137.26 30.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.7 p -137.81 38.54 2.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.525 ' O ' HG13 ' A' ' 27' ' ' VAL . 1.5 m 60.69 36.19 19.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.525 HG13 ' O ' ' A' ' 26' ' ' SER . 6.6 m -158.74 -44.84 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.8 m -133.8 78.99 1.8 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.1 m -71.2 134.53 46.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 20.3 m170 -119.9 80.28 1.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.55 ' CD2' HG23 ' A' ' 21' ' ' THR . 55.7 m-85 -68.68 159.82 31.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.1 m -92.01 143.67 26.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.6 p -96.56 9.96 39.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 50.47 25.95 9.31 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.803 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.1 mtt-85 -115.01 -36.2 4.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.873 0.368 . . . . 0.0 111.03 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.825 ' HA ' HD11 ' A' ' 15' ' ' LEU . 9.9 t -140.59 146.68 38.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.857 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.657 ' SG ' HG22 ' A' ' 5' ' ' THR . 0.5 OUTLIER -72.4 -20.52 61.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.92 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -92.52 116.15 28.74 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.817 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.3 m -59.87 148.74 75.61 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.57 176.02 7.96 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.581 2.188 . . . . 0.0 112.305 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.95 31.51 5.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 28.0 p90 -145.91 156.2 51.58 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.943 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.87 179.53 3.69 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.564 2.176 . . . . 0.0 112.255 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.421 -1.211 . . . . 0.0 112.514 -179.999 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.4 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.866 0.365 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.402 ' CG2' ' CB ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER 60.59 77.46 0.32 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.813 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.9 117.47 6.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.61 -178.84 47.51 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.497 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -69.33 -35.24 14.29 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.633 2.222 . . . . 0.0 112.285 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 25.9 t -66.41 -15.16 63.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.284 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 79.6 m -110.48 145.92 36.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.721 0.296 . . . . 0.0 110.767 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -71.32 -87.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.06 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -117.59 -22.88 7.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.672 0.273 . . . . 0.0 111.112 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 179.75 37.18 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.992 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.09 144.91 8.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.608 HD21 ' C ' ' A' ' 36' ' ' SER . 0.3 OUTLIER -57.93 117.28 4.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.813 ' CE ' HG21 ' A' ' 20' ' ' THR . 12.8 mtpp -57.75 156.97 16.02 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_exo -51.92 144.71 35.1 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.57 2.18 . . . . 0.0 112.355 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.25 111.16 0.99 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.099 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 133.38 -8.12 5.02 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.745 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.813 HG21 ' CE ' ' A' ' 16' ' ' LYS . 32.2 m -70.05 111.1 5.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.858 0.361 . . . . 0.0 110.872 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.717 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -75.58 144.2 41.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.2 m -100.22 -74.64 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 19.7 t90 -109.19 79.53 1.23 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.9 ptt180 -75.98 126.57 31.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.479 HG22 ' H ' ' A' ' 26' ' ' SER . 0.2 OUTLIER -148.54 -176.74 5.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.479 ' H ' HG22 ' A' ' 25' ' ' THR . 36.6 m -85.51 -31.48 22.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -93.46 -32.47 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.179 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.8 t -140.53 160.07 40.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.9 m -170.26 104.56 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.626 ' O ' HG22 ' A' ' 21' ' ' THR . 1.5 m-70 -81.67 -178.93 7.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.717 ' CE2' HG23 ' A' ' 21' ' ' THR . 8.8 m-85 -159.22 161.91 36.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 63.5 m -102.01 122.64 44.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.756 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.7 p -94.67 21.49 7.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.97 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 49.63 26.37 7.59 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.821 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.8 mtt180 -120.63 -41.55 2.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.876 0.369 . . . . 0.0 111.0 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.608 ' C ' HD21 ' A' ' 15' ' ' LEU . 2.4 m -140.03 145.29 37.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.826 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.402 ' CB ' ' CG2' ' A' ' 5' ' ' THR . 0.8 OUTLIER -71.89 -20.5 61.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.965 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -74.4 91.17 2.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.808 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.4 m -55.82 108.96 1.35 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.002 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.402 ' O ' ' CG ' ' A' ' 30' ' ' HIS . 53.4 Cg_exo -52.43 170.87 0.23 Allowed 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.445 2.097 . . . . 0.0 112.295 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.1 t -114.92 69.92 0.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -121.14 87.6 44.22 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.01 116.25 2.67 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.597 2.198 . . . . 0.0 112.293 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.368 -1.24 . . . . 0.0 112.496 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.53 0.176 0 CA-C-O 120.764 0.316 . . . . 0.0 110.805 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 65.97 106.28 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.972 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.15 146.87 29.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.82 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.16 -154.33 25.46 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.631 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -77.45 -45.43 0.16 Allowed 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.716 2.277 . . . . 0.0 112.752 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.7 t -94.8 55.67 1.91 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.968 0.413 . . . . 0.0 111.174 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.1 m -137.62 109.55 7.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.973 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.8 ttt-85 -73.34 98.95 2.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.493 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 70.97 -65.75 0.33 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.597 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -166.14 42.42 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.606 179.668 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -155.76 157.11 35.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.803 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.695 HD21 ' N ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -59.91 119.26 7.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.7 mmtp -59.28 159.12 16.67 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -66.07 144.45 75.82 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.52 2.147 . . . . 0.0 112.335 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.87 157.58 12.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.073 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 65.25 22.75 69.43 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.539 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.9 m -114.8 128.51 56.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.789 0.328 . . . . 0.0 110.829 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.79 144.18 49.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.9 p -125.62 -43.51 1.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 15.7 t90 -114.32 84.7 2.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -65.99 166.17 11.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.477 HG22 ' H ' ' A' ' 26' ' ' SER . 0.2 OUTLIER -160.03 -176.97 5.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.477 ' H ' HG22 ' A' ' 25' ' ' THR . 1.5 m -74.49 -31.42 62.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.562 HG22 ' O ' ' A' ' 27' ' ' VAL . 12.3 p -159.71 49.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.04 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -151.24 -78.11 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.0 m 60.26 110.46 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -87.7 150.63 23.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -108.62 162.68 13.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.93 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 m -111.92 169.39 8.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.48 HG22 ' CZ ' ' A' ' 42' ' ' TYR . 6.5 p -118.77 16.28 13.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.207 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.39 24.94 18.42 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.684 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -116.08 -35.6 4.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.758 0.314 . . . . 0.0 111.06 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.559 ' C ' HD21 ' A' ' 15' ' ' LEU . 1.4 m -139.51 153.48 47.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.044 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.695 ' N ' HD21 ' A' ' 15' ' ' LEU . 1.0 OUTLIER -71.62 -24.22 61.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.967 179.857 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -79.48 156.8 27.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.14 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.5 m -113.39 95.55 36.27 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.623 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -67.96 66.67 0.93 Allowed 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.471 2.114 . . . . 0.0 112.618 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 43.55 30.92 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.674 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.48 ' CZ ' HG22 ' A' ' 33' ' ' THR . 0.1 OUTLIER -59.66 110.63 2.92 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.871 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.53 -176.28 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.403 2.069 . . . . 0.0 112.293 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.407 -1.218 . . . . 0.0 112.506 -179.93 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 57.3 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.881 0.372 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 62.3 p -72.24 105.91 4.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.778 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.85 154.79 18.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.014 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.34 -170.83 24.9 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.489 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.62 -38.45 5.9 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.563 2.175 . . . . 0.0 112.403 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.406 ' CB ' ' HA ' ' A' ' 37' ' ' CYS . 0.9 OUTLIER -89.11 53.69 2.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.041 0.448 . . . . 0.0 110.85 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 179.17 127.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.718 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -61.21 -88.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.035 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -122.9 -19.64 6.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.629 0.252 . . . . 0.0 111.401 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.8 t -177.01 36.0 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.094 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -151.73 124.71 8.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.807 0.336 . . . . 0.0 110.768 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.437 HD21 ' HA ' ' A' ' 36' ' ' SER . 9.3 mt -51.78 110.86 0.51 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.753 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.5 mttt -47.85 147.92 3.08 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.042 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.62 135.02 37.36 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.495 2.13 . . . . 0.0 112.448 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.451 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -57.01 119.28 6.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.99 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.45 17.78 7.44 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.551 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 86.7 m -113.68 113.97 25.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.792 0.329 . . . . 0.0 110.783 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.749 HG22 ' H ' ' A' ' 30' ' ' HIS . 0.0 OUTLIER -61.56 135.74 57.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.829 -179.878 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.5 p -108.83 -40.61 4.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.427 ' CD1' ' HB3' ' A' ' 28' ' ' SER . 16.3 t-105 -112.36 82.49 1.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.844 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -148.63 76.76 1.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.2 t -74.95 -33.06 61.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -177.23 -40.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -111.55 -31.65 2.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.1 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.427 ' HB3' ' CD1' ' A' ' 23' ' ' TRP . 31.5 m -73.58 173.87 9.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.404 ' O ' ' CD2' ' A' ' 30' ' ' HIS . 0.4 OUTLIER -176.62 124.21 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.94 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.749 ' H ' HG22 ' A' ' 21' ' ' THR . 35.6 m-70 -150.49 93.32 1.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.718 ' CD1' HG23 ' A' ' 21' ' ' THR . 4.3 m-85 -65.27 150.12 48.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 9.0 t -86.53 143.4 27.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.7 p -93.69 6.6 47.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.245 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.451 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 46.86 56.48 7.53 Favored Glycine 0 C--N 1.333 0.396 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.855 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 32.0 mtp85 -154.86 -45.82 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.904 0.383 . . . . 0.0 111.192 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.437 ' HA ' HD21 ' A' ' 15' ' ' LEU . 44.1 t -136.98 157.82 45.86 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.058 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.406 ' HA ' ' CB ' ' A' ' 9' ' ' CYS . 51.9 m -71.93 -25.97 62.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -66.29 93.96 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.834 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.91 156.33 26.3 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.95 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -51.96 148.65 22.7 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.63 2.22 . . . . 0.0 112.293 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 79.4 p -83.67 -31.57 26.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 20.9 p90 -104.26 151.04 39.01 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.18 126.93 21.83 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.561 2.174 . . . . 0.0 112.295 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.029 0 CA-C-O 118.443 -1.198 . . . . 0.0 112.51 -179.987 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 65.4 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.863 0.363 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.7 m -78.33 69.23 4.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.71 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -48.34 116.49 1.58 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.305 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.86 179.33 44.39 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.357 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -69.22 -25.28 31.24 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.587 2.191 . . . . 0.0 112.389 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -100.28 30.19 3.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -127.54 159.52 34.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.754 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.8 mtp85 -120.17 80.54 1.62 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.711 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 70.96 -64.12 0.39 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -154.35 27.87 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.957 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.5 tttt -148.73 139.29 22.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.784 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 mt -54.19 122.43 10.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.8 151.8 30.34 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.866 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo -51.57 134.65 46.87 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.54 2.16 . . . . 0.0 112.397 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.675 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -58.87 116.71 3.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.87 25.65 7.47 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.586 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.4 m -111.33 111.38 22.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 0.0 110.864 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 t -54.58 155.07 4.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.027 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.7 p -107.25 -40.29 5.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.937 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 18.0 t90 -98.78 -74.53 0.58 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 58.26 104.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.76 -36.23 5.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.4 p -178.7 -39.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.899 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.591 HG22 ' O ' ' A' ' 27' ' ' VAL . 13.4 p -153.68 45.19 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.008 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.18 33.71 1.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.92 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.5 m -66.25 85.56 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.44 ' CD2' ' O ' ' A' ' 42' ' ' TYR . 1.8 m-70 -60.18 -33.63 72.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 62.65 136.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.009 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.4 t -78.08 171.91 14.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.5 HG23 ' HB2' ' A' ' 35' ' ' ARG . 1.7 t -113.58 10.6 18.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.298 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.675 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 55.19 25.18 38.84 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.732 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.5 ' HB2' HG23 ' A' ' 33' ' ' THR . 6.3 mtt-85 -109.82 -68.13 0.94 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.988 0.423 . . . . 0.0 110.802 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.7 t -109.46 172.49 6.82 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.756 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 66.7 m -105.67 19.07 21.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.052 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.32 83.59 1.86 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.677 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.0 t -48.76 105.75 0.54 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.224 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.89 177.95 5.15 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.436 2.09 . . . . 0.0 112.288 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.9 m -94.37 45.56 1.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.44 ' O ' ' CD2' ' A' ' 30' ' ' HIS . 3.8 m-85 -83.69 161.14 57.06 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.97 177.46 5.7 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.615 2.21 . . . . 0.0 112.315 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.365 -1.242 . . . . 0.0 112.496 179.952 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 CA--C 1.528 0.132 0 CA-C-O 120.479 0.181 . . . . 0.0 111.319 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.3 t 43.48 88.52 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.904 0.383 . . . . 0.0 111.331 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -79.56 164.58 23.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.007 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.22 176.71 15.28 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.506 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.62 -25.4 20.85 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.581 2.187 . . . . 0.0 112.441 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -94.19 46.24 1.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.992 0.425 . . . . 0.0 110.96 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.2 m -126.19 163.52 22.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.736 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.437 ' O ' ' HB2' ' A' ' 12' ' ' GLN . 0.3 OUTLIER -92.66 -29.99 15.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.993 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.437 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 11.8 tm0? 170.88 -30.21 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.959 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -164.71 31.46 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.798 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.5 mttp -172.36 172.56 4.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.744 HD11 ' O ' ' A' ' 35' ' ' ARG . 0.3 OUTLIER -59.73 139.12 57.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.478 ' CE ' HG21 ' A' ' 20' ' ' THR . 9.0 tttt -83.11 145.81 50.07 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.808 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.55 142.19 49.93 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.504 2.136 . . . . 0.0 112.33 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.52 109.31 0.87 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.077 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.64 23.28 4.77 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.63 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.478 HG21 ' CE ' ' A' ' 16' ' ' LYS . 21.5 m -108.14 115.07 29.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.819 0.342 . . . . 0.0 110.78 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.01 149.33 27.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.964 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 56.3 m -84.38 -45.59 12.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.405 ' CZ3' HG21 ' A' ' 25' ' ' THR . 29.2 t90 -154.53 81.08 1.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -68.88 133.58 48.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.434 HG23 HG22 ' A' ' 27' ' ' VAL . 8.9 t -162.84 33.59 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.6 t 78.17 -56.47 0.48 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.077 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.434 HG22 HG23 ' A' ' 25' ' ' THR . 18.3 m -81.23 -32.16 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.113 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 t -107.56 146.68 31.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.9 m -173.46 79.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 19.8 m80 -106.43 97.58 7.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -73.29 137.3 44.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 94.0 m -71.25 155.63 40.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.7 p -102.78 14.55 31.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.195 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 50.03 26.04 8.3 Favored Glycine 0 C--N 1.333 0.373 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.798 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.744 ' O ' HD11 ' A' ' 15' ' ' LEU . 3.8 tpp85 -118.15 -38.24 3.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.834 0.35 . . . . 0.0 111.049 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.406 ' N ' HD21 ' A' ' 15' ' ' LEU . 2.1 m -141.59 172.59 12.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.829 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -102.56 16.47 26.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.098 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -110.65 107.37 16.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.54 147.88 67.97 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.947 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.48 177.11 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.539 2.159 . . . . 0.0 112.313 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.4 t -102.7 -32.02 10.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 18.4 p90 -98.12 161.1 26.62 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.18 144.21 39.25 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.561 2.174 . . . . 0.0 112.33 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.398 -1.223 . . . . 0.0 112.521 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.922 0.391 . . . . 0.0 110.815 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.568 HG22 ' HB2' ' A' ' 37' ' ' CYS . 0.2 OUTLIER 66.09 109.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.87 129.03 56.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.65 -168.89 41.47 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.474 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.43 -26.62 20.13 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.632 2.221 . . . . 0.0 112.39 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 36.9 t -98.74 10.45 41.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.426 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 94.0 m -116.19 143.31 45.67 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.85 0.357 . . . . 0.0 110.897 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.1 ttt85 -95.68 98.74 10.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.806 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 69.18 -68.34 0.19 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -159.44 37.27 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.693 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.5 tttm -152.05 145.6 24.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.752 HD21 ' N ' ' A' ' 36' ' ' SER . 0.2 OUTLIER -57.83 121.69 11.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.3 mttt -57.17 156.28 14.83 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.956 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.53 145.17 75.68 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.578 2.185 . . . . 0.0 112.306 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.27 115.65 5.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.041 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.77 22.2 5.11 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.615 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.441 HG22 ' H ' ' A' ' 21' ' ' THR . 2.1 m -101.16 169.56 8.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.841 0.353 . . . . 0.0 110.77 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.441 ' H ' HG22 ' A' ' 20' ' ' THR . 0.0 OUTLIER -86.58 170.2 12.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.8 t -151.59 -46.95 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.435 ' HB3' ' CD2' ' A' ' 30' ' ' HIS . 0.1 OUTLIER -131.1 92.03 3.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.689 ' O ' HG23 ' A' ' 25' ' ' THR . 34.6 mtp180 -93.88 135.44 35.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.689 HG23 ' O ' ' A' ' 24' ' ' ARG . 0.8 OUTLIER -168.96 -176.83 2.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.6 m -98.26 35.64 1.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -151.99 -45.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.157 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.6 m -131.96 169.45 16.29 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.5 t -151.37 95.58 2.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.435 ' CD2' ' HB3' ' A' ' 23' ' ' TRP . 13.3 m-70 -80.65 138.23 36.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -122.23 147.52 46.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.6 m -92.42 133.66 35.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.0 t -92.02 12.47 21.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.284 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 49.96 26.85 9.05 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.752 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.0 ttt-85 -102.77 -35.63 8.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.358 . . . . 0.0 110.95 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.752 ' N ' HD21 ' A' ' 15' ' ' LEU . 74.6 m -160.82 167.92 25.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.568 ' HB2' HG22 ' A' ' 5' ' ' THR . 0.1 OUTLIER -72.14 -29.5 64.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.28 90.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.961 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.1 t -59.01 109.6 2.01 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.5 170.25 16.7 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.403 2.068 . . . . 0.0 112.326 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.6 t -115.18 70.15 0.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -114.93 86.33 13.25 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.17 112.75 0.94 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.576 2.184 . . . . 0.0 112.335 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.082 0 CA-C-O 118.414 -1.214 . . . . 0.0 112.484 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.848 0.356 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.484 HG22 ' HA ' ' A' ' 14' ' ' LYS . 10.2 t -72.76 161.78 30.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.4 p -123.14 155.38 37.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.48 179.81 17.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.53 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -79.8 -15.35 12.08 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.71 2.273 . . . . 0.0 112.999 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.417 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 35.4 t -93.85 18.62 10.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.672 0.272 . . . . 0.0 111.523 -179.593 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.2 p -138.95 166.48 24.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.759 0.314 . . . . 0.0 110.733 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.34 46.33 1.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.054 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.1 mm100 69.12 7.91 6.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.646 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -151.12 -46.57 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.725 0.297 . . . . 0.0 110.935 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.484 ' HA ' HG22 ' A' ' 5' ' ' THR . 1.3 mmmp? -143.21 158.04 43.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.678 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.756 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -44.3 154.67 0.11 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.175 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.7 mttm -89.6 172.15 7.69 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.696 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo -51.01 131.94 36.46 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.481 2.121 . . . . 0.0 112.283 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.37 108.46 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.19 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 136.55 -10.84 4.04 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.732 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.74 174.85 0.42 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.816 0.341 . . . . 0.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.494 HG21 ' HD3' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -110.93 154.28 24.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.96 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.0 t -125.65 89.82 3.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER 62.45 117.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.494 ' HD3' HG21 ' A' ' 21' ' ' THR . 34.9 mtp180 -144.7 93.08 2.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.2 t -94.42 -36.43 11.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.987 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.7 m -178.76 -39.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.923 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.4 p -113.31 -34.48 2.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.16 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -64.77 81.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.7 p -99.81 79.99 2.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.6 m80 -104.78 -178.36 3.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -156.55 165.55 35.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.3 m -103.68 122.46 45.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.613 HG23 ' HG3' ' A' ' 35' ' ' ARG . 1.4 t -73.32 -6.57 46.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.338 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 63.87 19.72 63.56 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.897 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.613 ' HG3' HG23 ' A' ' 33' ' ' THR . 2.3 ppt_? -114.65 -30.99 6.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.785 0.326 . . . . 0.0 110.991 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.717 ' HA ' HD12 ' A' ' 15' ' ' LEU . 1.7 m -155.75 148.17 23.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.592 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.417 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 18.0 t -73.43 -19.66 60.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.185 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -57.88 89.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.842 0.353 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.86 109.45 1.72 Allowed Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.13 174.19 0.1 OUTLIER 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.418 2.078 . . . . 0.0 112.351 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.4 m -94.95 -31.69 13.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -74.41 149.59 86.67 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.1 -27.06 25.31 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.553 2.169 . . . . 0.0 112.332 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.092 0 CA-C-O 118.443 -1.198 . . . . 0.0 112.54 -179.975 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.405 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.857 0.36 . . . . 0.0 110.86 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.7 p -87.33 173.89 8.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.82 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.67 136.94 36.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.043 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.408 ' HA3' ' HB3' ' A' ' 37' ' ' CYS . . . 149.89 166.17 13.13 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.457 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.53 61.12 6.0 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.611 2.208 . . . . 0.0 112.648 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -179.04 43.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.928 179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -168.14 131.28 1.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.87 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.1 ttt85 -60.23 106.48 0.53 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.417 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 67.72 -73.08 0.09 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.948 0.404 . . . . 0.0 110.136 -179.297 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.405 ' HB2' ' HB3' ' A' ' 4' ' ' CYS . 14.1 p -156.05 29.53 0.35 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.735 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -126.31 127.48 45.62 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.952 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.501 HD21 ' CA ' ' A' ' 36' ' ' SER . 36.3 mt -44.69 116.68 1.11 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.389 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.11 155.89 23.04 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.689 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -58.58 130.38 36.94 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.567 2.178 . . . . 0.0 112.257 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.1 113.01 0.89 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.7 26.74 4.06 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.441 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.2 m -125.66 119.1 27.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.803 0.335 . . . . 0.0 110.766 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.816 HG23 ' O ' ' A' ' 30' ' ' HIS . 0.2 OUTLIER -58.68 156.42 10.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.991 -179.871 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.9 p -103.81 -43.96 5.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.954 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -94.63 -43.3 8.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? 57.45 79.82 0.18 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.962 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.46 HG22 ' H ' ' A' ' 26' ' ' SER . 0.2 OUTLIER -135.6 -173.54 3.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.46 ' H ' HG22 ' A' ' 25' ' ' THR . 32.8 m -79.35 -31.33 42.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -102.09 -30.63 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.11 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -93.93 106.04 18.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.7 m -116.73 31.54 6.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.816 ' O ' HG23 ' A' ' 21' ' ' THR . 22.2 m80 -60.9 -172.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.406 ' CD1' ' O ' ' A' ' 30' ' ' HIS . 27.2 m-85 -164.73 154.95 14.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.47 132.03 35.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.753 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.9 p -94.57 17.31 13.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 48.54 27.22 5.78 Favored Glycine 0 C--N 1.332 0.347 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.805 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -120.94 -41.67 2.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.887 0.375 . . . . 0.0 111.015 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.501 ' CA ' HD21 ' A' ' 15' ' ' LEU . 3.1 m -140.69 148.35 40.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.868 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.408 ' HB3' ' HA3' ' A' ' 7' ' ' GLY . 84.1 m -72.48 -20.94 61.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.001 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -72.95 101.63 3.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.77 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.45 146.51 63.53 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -53.11 177.64 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.487 2.125 . . . . 0.0 112.274 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.2 p -124.33 31.61 5.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.837 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -121.79 88.05 46.92 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo -51.79 106.04 0.13 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.559 2.173 . . . . 0.0 112.315 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.553 179.963 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.3 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.838 0.352 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 66.6 p -62.21 167.76 3.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.964 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.1 p -155.85 114.59 3.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.23 -166.3 39.41 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.565 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -78.07 -38.04 0.7 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.696 2.264 . . . . 0.0 112.732 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.81 -37.75 73.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.018 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 15' ' ' LEU . 30.7 p -99.06 152.14 20.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.708 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 mtt-85 -69.62 -88.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.936 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -133.36 -19.97 2.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.248 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.0 m -135.13 -27.93 1.2 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -179.352 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.46 164.23 30.89 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.02 0.438 . . . . 0.0 111.387 -179.497 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.697 HD22 ' C ' ' A' ' 35' ' ' ARG . 3.4 pp -54.55 144.11 22.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.841 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.891 ' HD2' HG21 ' A' ' 20' ' ' THR . 21.9 mttt -80.25 160.46 67.95 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.62 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_exo -51.32 136.47 47.06 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.535 2.157 . . . . 0.0 112.267 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.61 111.93 0.62 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.189 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.46 -8.22 4.65 Favored Glycine 0 CA--C 1.52 0.354 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.691 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.891 HG21 ' HD2' ' A' ' 16' ' ' LYS . 2.5 m -74.4 115.92 14.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.824 0.345 . . . . 0.0 110.706 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.408 HG23 ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -66.57 153.27 43.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.063 -179.793 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -92.31 -67.97 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.919 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.401 ' CE2' ' OG1' ' A' ' 25' ' ' THR . 18.4 t90 -96.4 -70.17 0.73 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 60.7 95.33 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.401 ' OG1' ' CE2' ' A' ' 23' ' ' TRP . 0.2 OUTLIER -107.0 -32.81 7.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -174.55 -77.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -93.73 -31.14 4.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.091 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -87.9 127.5 35.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.2 m -134.91 130.3 35.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 26.3 m80 -105.35 78.39 1.37 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.408 ' CD1' HG23 ' A' ' 21' ' ' THR . 64.6 m-85 -63.78 141.28 58.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 11.8 t -86.92 133.6 33.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.812 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.0 t -76.59 -4.95 45.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.411 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.572 ' C ' HD13 ' A' ' 15' ' ' LEU . . . 63.38 28.29 72.1 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.361 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.697 ' C ' HD22 ' A' ' 15' ' ' LEU . 44.0 ttt-85 -105.38 -30.23 9.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.748 0.309 . . . . 0.0 110.927 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.1 p -166.68 163.91 16.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.939 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 18.3 t -72.38 -24.06 61.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.008 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.45 85.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.846 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.55 109.03 1.41 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.67 177.46 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.445 2.097 . . . . 0.0 112.322 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 m -118.03 36.79 4.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -114.49 87.56 14.26 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.18 124.72 15.51 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.572 2.181 . . . . 0.0 112.272 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.081 0 CA-C-O 118.398 -1.223 . . . . 0.0 112.506 179.95 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.715 0.293 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.67 HG22 ' SG ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER 61.01 105.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.866 179.913 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.585 HG22 ' C ' ' A' ' 12' ' ' GLN . 18.8 p -125.56 135.57 52.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.0 -162.13 26.91 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.579 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.0 -61.45 0.43 Allowed 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.642 2.228 . . . . 0.0 112.385 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.5 m -90.72 51.29 1.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.024 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -146.62 153.65 40.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.685 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 -95.71 33.99 1.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.585 ' C ' HG22 ' A' ' 6' ' ' THR . 2.0 tp60 69.32 9.82 7.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.414 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -179.38 -32.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.422 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.32 138.58 54.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.801 0.334 . . . . 0.0 110.891 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.528 HD22 ' C ' ' A' ' 35' ' ' ARG . 33.6 mt -50.78 126.07 14.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.697 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.4 ' HD3' HG21 ' A' ' 20' ' ' THR . 0.0 OUTLIER -52.48 154.52 4.42 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.799 -179.861 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -55.83 121.33 9.77 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.547 2.165 . . . . 0.0 112.239 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.47 119.86 2.6 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.307 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.403 ' O ' ' CD2' ' A' ' 31' ' ' TYR . . . 107.59 23.43 6.88 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.264 -179.651 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.4 HG21 ' HD3' ' A' ' 16' ' ' LYS . 86.8 m -106.45 113.72 27.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.828 0.346 . . . . 0.0 110.777 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 t -53.28 155.84 2.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.8 t -105.54 -38.27 6.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 21.0 t90 -141.4 90.22 2.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -113.97 158.61 20.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -161.74 -44.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -177.66 -39.42 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.969 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.2 p -111.25 -32.76 2.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.53 153.0 27.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.1 p -176.52 109.22 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 29.0 m-70 -130.45 81.17 1.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 19' ' ' GLY . 27.4 m-85 -59.21 116.67 4.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.2 m -66.82 173.49 3.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.0 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.95 7.36 29.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.337 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 56.95 28.18 57.65 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.581 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.528 ' C ' HD22 ' A' ' 15' ' ' LEU . 1.6 mmt85 -103.88 -32.82 9.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.774 0.321 . . . . 0.0 110.889 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.429 ' CA ' HD22 ' A' ' 15' ' ' LEU . 8.3 m -143.95 165.76 26.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.958 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.67 ' SG ' HG22 ' A' ' 5' ' ' THR . 52.1 m -71.07 -30.52 66.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.79 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -67.25 172.37 4.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.8 p -144.86 90.14 6.39 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -68.76 177.68 4.66 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.549 2.166 . . . . 0.0 112.261 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.1 m -85.01 57.23 4.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -110.22 87.28 5.94 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.62 151.8 69.9 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.565 2.177 . . . . 0.0 112.354 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.407 -1.218 . . . . 0.0 112.542 179.985 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.528 0.097 0 CA-C-O 120.62 0.248 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.1 t 43.52 93.22 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.511 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.83 HG22 ' O ' ' A' ' 12' ' ' GLN . 16.2 p -106.72 141.91 37.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.64 -176.78 39.7 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -55.0 -34.96 88.82 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.655 2.236 . . . . 0.0 112.431 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.4 ' HB2' ' HA ' ' A' ' 37' ' ' CYS . 1.2 m -91.24 11.5 23.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.39 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 55.9 m -132.41 136.77 47.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.841 0.353 . . . . 0.0 110.931 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 68.6 mtt-85 -59.24 -37.09 76.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.013 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.83 ' O ' HG22 ' A' ' 6' ' ' THR . 0.4 OUTLIER 166.12 -29.26 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.317 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -152.39 26.93 0.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.055 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.6 tptt -171.41 146.11 2.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.815 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.57 HD22 ' C ' ' A' ' 35' ' ' ARG . 8.1 mt -56.39 122.19 11.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -54.92 158.09 4.98 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.837 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_exo -51.28 122.57 10.33 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.52 2.147 . . . . 0.0 112.338 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -48.81 111.87 0.53 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.263 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.8 21.09 6.16 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.464 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.5 m -104.21 121.73 43.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.809 0.337 . . . . 0.0 110.742 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 t -54.56 123.99 14.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.104 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.8 p -107.42 -31.29 8.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.473 ' CZ3' HG21 ' A' ' 25' ' ' THR . 0.2 OUTLIER -102.71 68.09 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.808 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.8 103.71 0.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.948 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.473 HG21 ' CZ3' ' A' ' 23' ' ' TRP . 20.2 p -102.73 -15.31 16.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.214 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.9 t 65.44 43.51 3.41 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.914 0.388 . . . . 0.0 110.741 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.1 p -178.82 -37.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.189 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.49 -36.91 7.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.944 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.9 m 59.81 109.36 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.951 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.433 ' CG ' ' HB3' ' A' ' 23' ' ' TRP . 5.7 m170 -93.52 -177.03 4.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -154.64 116.33 4.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 9.7 t -75.6 160.56 29.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 t -99.21 4.24 46.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.433 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.36 25.99 20.99 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.707 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.57 ' C ' HD22 ' A' ' 15' ' ' LEU . 6.1 ttm180 -116.15 -38.77 3.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.86 0.362 . . . . 0.0 110.967 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.418 ' N ' HD22 ' A' ' 15' ' ' LEU . 25.0 t -138.99 152.39 47.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.961 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.4 ' HA ' ' HB2' ' A' ' 9' ' ' CYS . 0.1 OUTLIER -73.08 -22.27 60.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.082 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -62.23 86.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.8 t -55.78 108.77 1.29 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.17 177.52 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.417 2.078 . . . . 0.0 112.339 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.7 m -128.97 41.87 3.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -113.81 88.87 14.82 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.918 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -51.62 164.25 0.99 Allowed 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.573 2.182 . . . . 0.0 112.347 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.385 -1.23 . . . . 0.0 112.509 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 65.0 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.835 0.35 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.7 m -77.11 63.6 2.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.667 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -49.28 104.81 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.22 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.43 171.76 35.29 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.373 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_exo -51.76 -24.63 18.61 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.592 2.195 . . . . 0.0 112.401 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -109.9 25.56 11.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.105 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -136.72 98.14 3.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.922 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -110.83 129.54 55.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.771 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 64.62 14.25 8.87 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.317 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.1 t 73.92 43.49 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.869 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.8 mmtt -139.68 110.66 6.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.392 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.756 HD11 ' C ' ' A' ' 35' ' ' ARG . 1.3 tt -45.85 105.45 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.025 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.5 mmtm -47.15 150.26 1.49 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.213 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.1 141.4 58.0 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.556 2.171 . . . . 0.0 112.433 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.666 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -60.27 148.78 35.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.401 ' O ' ' CD2' ' A' ' 31' ' ' TYR . . . 75.92 8.63 84.94 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.783 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.3 m -107.8 113.05 26.02 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.851 0.357 . . . . 0.0 110.805 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.3 t -57.04 152.43 13.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.032 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.1 p -99.06 -37.41 9.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 24.5 t90 -128.83 104.42 7.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -115.74 166.89 11.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.744 HG23 HG12 ' A' ' 27' ' ' VAL . 4.2 t -172.25 36.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m 60.77 36.79 19.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.744 HG12 HG23 ' A' ' 25' ' ' THR . 12.3 p -178.32 -38.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 35.8 m -101.06 140.47 35.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.1 m -165.31 122.03 1.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -104.24 -32.33 9.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.401 ' CD2' ' O ' ' A' ' 19' ' ' GLY . 10.4 m-85 62.42 126.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.64 172.73 12.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.773 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.4 p -121.23 19.26 11.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.069 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.666 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 49.74 26.12 7.64 Favored Glycine 0 C--N 1.332 0.312 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.781 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.756 ' C ' HD11 ' A' ' 15' ' ' LEU . 12.8 ttm180 -118.64 -38.29 3.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.842 0.353 . . . . 0.0 111.01 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.473 ' N ' HD11 ' A' ' 15' ' ' LEU . 1.9 m -141.29 173.17 11.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 66.1 m -107.51 20.12 19.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.038 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -115.71 94.76 4.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.801 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.6 m -54.18 108.34 1.11 Allowed Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.056 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -52.09 177.62 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.469 2.112 . . . . 0.0 112.299 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.0 m -96.96 39.77 1.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -105.85 87.42 2.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.75 113.41 3.36 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.551 2.167 . . . . 0.0 112.328 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.088 0 CA-C-O 118.385 -1.231 . . . . 0.0 112.544 179.968 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.404 ' CB ' ' HA ' ' A' ' 13' ' ' CYS . 1.9 m . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.832 0.349 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 51.8 p -56.83 173.06 0.22 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.978 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.4 p -155.06 126.07 7.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.936 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.61 -176.16 27.54 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.518 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -73.78 -29.5 10.42 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.598 2.199 . . . . 0.0 112.536 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 35.2 t -93.87 46.64 1.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.966 0.412 . . . . 0.0 110.98 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.6 p -178.72 159.34 1.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.52 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -92.58 35.1 1.03 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.117 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 63.2 12.61 6.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.449 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.404 ' HA ' ' CB ' ' A' ' 4' ' ' CYS . 1.3 m -159.16 -38.54 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.625 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.5 mmmt -130.41 128.31 41.1 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.762 0.315 . . . . 0.0 110.762 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.916 HD11 ' HA ' ' A' ' 36' ' ' SER . 0.0 OUTLIER -45.95 129.75 9.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.618 179.851 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.669 ' HD3' HG21 ' A' ' 20' ' ' THR . 28.8 mttt -56.65 166.32 1.34 Allowed Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.686 -179.542 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -64.91 128.25 20.38 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.397 2.064 . . . . 0.0 112.315 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.717 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -53.69 101.48 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.072 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.48 -16.17 2.26 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.562 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.669 HG21 ' HD3' ' A' ' 16' ' ' LYS . 0.3 OUTLIER -57.31 174.61 0.19 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.798 0.332 . . . . 0.0 110.748 179.911 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.482 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -118.55 146.52 44.51 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.2 t -104.01 -64.2 1.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -127.15 145.38 50.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.9 101.84 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.7 p -112.12 -35.14 5.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.4 p -178.3 -39.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.934 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.4 p -109.2 -32.84 2.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.166 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.5 m -85.81 157.69 20.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.31 78.5 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 15.1 m170 -89.65 143.44 26.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.482 ' CE2' HG23 ' A' ' 21' ' ' THR . 35.7 m-85 -119.32 162.92 17.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.951 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.2 m -92.36 122.92 35.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.761 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.8 t -81.84 2.77 28.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.219 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.717 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 54.85 22.36 26.53 Favored Glycine 0 C--N 1.332 0.35 0 C-N-CA 120.594 -0.813 . . . . 0.0 112.674 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.7 mtt85 -115.16 -35.62 4.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.831 0.348 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.916 ' HA ' HD11 ' A' ' 15' ' ' LEU . 7.6 m -150.04 141.13 23.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.615 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 48.1 t -70.7 -20.01 62.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.826 0.346 . . . . 0.0 110.832 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.11 98.86 0.82 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.751 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 36.0 m -54.53 108.19 1.08 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.063 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.419 ' HB2' ' CD1' ' A' ' 42' ' ' TYR . 53.3 Cg_endo -69.37 177.32 5.43 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.447 2.098 . . . . 0.0 112.329 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.8 m -102.62 37.4 1.93 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.419 ' CD1' ' HB2' ' A' ' 40' ' ' PRO . 45.0 m-85 -114.42 87.51 14.0 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.07 148.72 23.17 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.59 2.193 . . . . 0.0 112.306 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.082 0 CA-C-O 118.356 -1.247 . . . . 0.0 112.476 -180.0 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 56.6 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.884 0.373 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.9 p -66.91 99.72 0.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.83 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 71.5 p -71.55 130.14 40.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.026 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.99 164.28 12.61 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.489 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.57 -40.69 5.3 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.53 2.153 . . . . 0.0 112.346 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -58.81 -26.44 64.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.007 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 61.2 m -92.07 166.86 12.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.984 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.84 45.04 1.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.63 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 75.98 3.54 3.75 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.624 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 50.2 t -177.79 -38.07 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.606 0.241 . . . . 0.0 111.549 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.2 ttmt -122.72 137.35 54.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.881 0.372 . . . . 0.0 111.08 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.588 HD22 ' N ' ' A' ' 36' ' ' SER . 5.3 mt -48.07 123.87 6.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.056 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.8 mttm -59.07 157.44 21.54 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.747 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_exo -51.22 123.41 11.91 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.523 2.148 . . . . 0.0 112.309 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.2 111.63 0.43 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.278 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.27 17.85 6.51 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.559 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.9 m -114.57 114.39 25.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.754 0.311 . . . . 0.0 110.761 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.3 t -55.13 128.96 36.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 21.3 p -76.65 -34.62 58.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.929 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 24.4 t90 -131.51 107.2 8.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.437 ' O ' HG23 ' A' ' 25' ' ' THR . 22.0 ptt-85 -104.25 152.86 21.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.437 HG23 ' O ' ' A' ' 24' ' ' ARG . 21.5 p -157.38 -77.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.93 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.3 p -176.95 -39.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.906 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.9 m -129.51 31.02 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.132 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.1 t -171.65 123.07 0.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.9 m -161.89 161.8 28.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 25.0 m-70 -149.65 107.99 3.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -59.55 135.23 57.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 9.0 t -82.52 141.63 32.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.846 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 73.8 p -86.2 0.87 52.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.344 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.39 23.9 14.85 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.841 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.503 ' HA ' HD13 ' A' ' 15' ' ' LEU . 5.4 ptt85 -120.93 -31.61 4.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.646 0.26 . . . . 0.0 111.226 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.588 ' N ' HD22 ' A' ' 15' ' ' LEU . 14.2 t -140.97 149.69 42.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.779 0.323 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.2 -23.02 61.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.14 86.44 1.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.883 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.5 t -57.71 109.69 1.96 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.54 171.18 0.22 Allowed 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.389 2.06 . . . . 0.0 112.289 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.1 t -107.73 34.19 3.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -105.98 87.28 2.33 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.01 177.09 6.11 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.573 2.182 . . . . 0.0 112.311 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.417 -1.213 . . . . 0.0 112.462 -179.959 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.3 m . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.729 0.299 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.9 p 58.08 109.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.0 p -98.94 151.73 20.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.03 -176.17 32.8 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.499 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.77 -28.25 20.66 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.601 2.2 . . . . 0.0 112.349 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -94.88 45.67 1.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.4 p -177.96 119.79 0.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.757 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.32 -91.5 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.164 -179.636 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -119.56 -20.89 7.58 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.549 0.214 . . . . 0.0 111.255 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.1 t -176.92 37.04 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.73 0.3 . . . . 0.0 110.992 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -153.93 136.65 15.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.81 0.338 . . . . 0.0 110.871 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.514 HD22 ' C ' ' A' ' 35' ' ' ARG . 68.4 mt -54.37 121.38 8.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.763 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.5 mttt -49.63 165.99 0.27 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.074 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.56 117.15 4.5 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.541 2.161 . . . . 0.0 112.29 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.17 122.29 15.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.065 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.8 28.9 4.03 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.481 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.482 HG22 ' HB3' ' A' ' 32' ' ' CYS . 13.3 t -121.45 175.0 6.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.884 0.373 . . . . 0.0 110.854 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.649 HG21 ' CG ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -93.99 141.94 27.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.877 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 52.9 t -96.1 -70.74 0.7 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 25.0 t90 -126.71 89.83 3.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.649 ' CG ' HG21 ' A' ' 21' ' ' THR . 4.6 mtt180 -78.99 118.38 20.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -111.57 -76.41 0.6 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.9 m -177.55 -39.55 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.3 p -112.32 -32.33 2.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.177 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.404 ' OG ' ' CD2' ' A' ' 30' ' ' HIS . 19.4 t -79.68 -78.64 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.9 m 60.23 101.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.404 ' CD2' ' OG ' ' A' ' 28' ' ' SER . 35.7 m170 -104.18 -177.77 3.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -146.54 161.2 40.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.482 ' HB3' HG22 ' A' ' 20' ' ' THR . 12.2 t -107.22 127.17 53.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.3 t -86.75 5.7 35.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.313 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 53.13 35.98 50.83 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.634 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.514 ' C ' HD22 ' A' ' 15' ' ' LEU . 1.6 tmm_? -115.03 -37.89 4.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.837 0.351 . . . . 0.0 111.031 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.8 166.52 31.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.924 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 84.6 m -71.34 -30.27 65.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -63.18 103.23 0.46 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.6 m -68.41 155.03 93.48 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.78 160.75 48.56 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.531 2.154 . . . . 0.0 112.325 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.3 m -131.12 33.09 4.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 26.2 p90 -137.85 154.87 74.9 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.11 108.59 2.18 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.592 2.194 . . . . 0.0 112.284 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.334 -1.259 . . . . 0.0 112.508 179.993 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 23.7 m . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.847 0.356 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -62.63 141.2 58.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.747 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 30.3 p -128.26 123.99 35.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.964 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.21 -169.49 41.96 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.52 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -78.43 -33.2 1.93 Allowed 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.73 2.287 . . . . 0.0 112.606 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -74.89 -26.91 59.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.128 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 26.2 p -112.5 134.45 54.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.748 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.4 mtm180 -59.34 -94.78 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.093 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -120.22 -22.0 6.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.666 0.269 . . . . 0.0 111.128 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 33.9 t -176.82 35.62 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.8 0.333 . . . . 0.0 111.051 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.6 tttp -163.35 126.19 2.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.761 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.745 HD11 ' O ' ' A' ' 36' ' ' SER . 0.4 OUTLIER -49.78 115.18 1.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.814 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.9 mttt -49.23 156.44 1.02 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.031 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -51.95 134.42 48.82 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.504 2.136 . . . . 0.0 112.41 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.58 132.84 54.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.033 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.59 21.52 56.01 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.536 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 87.2 m -110.4 117.74 34.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 0.0 110.735 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -58.4 127.2 30.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.1 p -89.47 -40.63 12.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 35.5 t90 -134.42 140.06 46.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -149.55 146.92 27.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.4 m -160.56 38.37 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.3 m 60.84 29.93 19.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.438 HG13 ' N ' ' A' ' 28' ' ' SER . 11.3 p -125.68 -42.54 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.145 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.438 ' N ' HG13 ' A' ' 27' ' ' VAL . 1.7 m -163.3 -176.47 4.8 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.914 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.8 m -133.5 118.31 18.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -105.36 85.33 2.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -73.75 134.8 43.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.7 t -78.51 140.45 38.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.6 p -91.76 9.95 30.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.3 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.462 ' HA2' HD12 ' A' ' 15' ' ' LEU . . . 50.65 26.13 10.05 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.676 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.5 ttt-85 -116.5 -36.22 4.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.809 0.338 . . . . 0.0 111.102 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.745 ' O ' HD11 ' A' ' 15' ' ' LEU . 1.9 m -144.62 150.18 36.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.945 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 43.7 t -73.26 -19.3 61.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.063 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -74.32 85.99 1.96 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.867 0.365 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -57.67 109.62 1.91 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.959 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.95 177.38 0.06 OUTLIER 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.431 2.087 . . . . 0.0 112.255 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.4 m -111.76 31.71 5.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -68.92 149.57 97.83 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.27 155.64 63.78 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.53 2.153 . . . . 0.0 112.315 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.421 -1.21 . . . . 0.0 112.467 -179.999 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.866 0.365 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.44 112.76 6.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.2 p -83.06 128.85 34.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.13 175.81 34.52 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.527 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -42.55 3.34 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.599 2.2 . . . . 0.0 112.253 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.65 -26.85 64.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.999 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 54.7 m -93.12 166.11 12.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.8 ttt180 -92.93 48.12 1.33 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 72.11 8.06 5.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.492 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -160.15 -59.62 0.06 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.774 0.321 . . . . 0.0 111.067 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.52 157.53 31.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.007 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.439 HD23 ' H ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -55.61 131.24 45.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.927 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.2 mtmp? -66.82 166.03 21.84 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.944 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.2 142.45 67.33 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.61 2.207 . . . . 0.0 112.293 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.02 108.05 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.056 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.01 25.74 3.77 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.559 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 67.8 m -117.08 118.8 33.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.86 0.362 . . . . 0.0 110.826 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.2 t -62.48 128.5 36.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.984 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 29.4 p -85.72 -31.23 22.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.431 ' CE3' ' HA ' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -115.78 87.95 2.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.799 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -111.49 84.52 1.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.745 HG23 HG12 ' A' ' 27' ' ' VAL . 4.2 t -120.88 35.26 4.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m 60.85 38.97 17.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.745 HG12 HG23 ' A' ' 25' ' ' THR . 12.2 p -178.55 -38.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.162 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.5 m -86.85 147.84 25.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.944 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.1 m -161.08 101.45 1.25 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -110.17 -30.23 7.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.004 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 62.4 116.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.865 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.9 t -85.44 134.55 34.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.823 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.1 p -91.84 12.53 21.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.187 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.79 46.05 24.94 Favored Glycine 0 C--N 1.332 0.345 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.796 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -139.86 -46.42 0.44 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.878 0.37 . . . . 0.0 111.063 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 m -127.35 148.53 50.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.988 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.91 -19.01 60.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.151 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -81.1 95.58 6.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.791 0.329 . . . . 0.0 110.921 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.18 146.23 83.8 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.832 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.81 128.66 15.36 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.493 2.129 . . . . 0.0 112.302 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.6 p -63.13 -32.11 73.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -82.25 149.82 62.86 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.97 129.31 17.15 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.597 2.198 . . . . 0.0 112.264 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.384 -1.231 . . . . 0.0 112.536 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.4 m . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.788 0.328 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.8 m -67.11 76.18 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.804 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 36.4 p -52.59 114.59 1.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.38 169.69 40.62 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.53 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.39 -31.18 56.27 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.596 2.198 . . . . 0.0 112.492 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.8 t -97.57 29.78 3.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.001 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.09 109.05 10.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.621 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.436 ' O ' ' HB2' ' A' ' 12' ' ' GLN . 8.0 ttp180 -52.97 -30.15 33.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.242 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.436 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 1.3 tm0? 170.28 -31.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.869 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.6 t -175.52 33.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.986 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -156.93 110.2 2.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.495 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.852 HD11 ' HA ' ' A' ' 36' ' ' SER . 0.3 OUTLIER -45.34 107.91 0.11 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.945 -179.82 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.2 mtmm -46.36 155.84 0.53 Allowed Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.231 -179.518 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo -51.88 136.59 51.8 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.582 2.188 . . . . 0.0 112.434 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.644 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -60.05 108.97 0.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.46 26.61 3.9 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.447 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 79.3 m -117.4 131.21 56.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.811 0.338 . . . . 0.0 110.761 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.428 HG21 ' HG3' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -60.05 147.01 40.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.903 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.2 p -97.62 -30.95 12.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 20.1 t90 -130.63 -73.96 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.428 ' HG3' HG21 ' A' ' 21' ' ' THR . 1.1 ttp85 58.07 87.7 0.07 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.905 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.7 t -83.49 -39.48 20.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.7 -39.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.867 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.0 t -120.23 -40.19 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.151 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.91 86.74 6.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.899 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.8 m -97.01 79.19 2.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -73.09 98.95 2.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.961 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -74.62 159.19 32.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.9 m -98.72 154.59 17.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.9 t -108.17 13.89 25.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.644 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 49.46 26.69 7.42 Favored Glycine 0 C--N 1.333 0.364 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.724 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -105.27 -31.18 9.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 0.0 110.98 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.852 ' HA ' HD11 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -150.47 172.23 15.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 m -95.24 10.31 36.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.184 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -117.18 115.19 24.85 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.81 0.338 . . . . 0.0 110.811 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.81 147.08 73.49 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.966 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.37 177.68 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.549 2.166 . . . . 0.0 112.28 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.1 m -106.57 31.46 5.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -161.45 157.27 21.35 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.58 165.61 30.17 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.592 2.194 . . . . 0.0 112.261 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.363 -1.243 . . . . 0.0 112.48 179.993 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.3 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.748 0.308 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 62.47 63.39 1.03 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.987 0.422 . . . . 0.0 110.768 -179.947 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.78 138.38 58.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.948 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.92 -170.25 42.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -69.4 -28.25 27.19 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.621 2.214 . . . . 0.0 112.304 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 46.7 m -98.52 33.73 2.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -148.75 164.31 34.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.862 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -178.09 128.04 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.748 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 63.17 15.65 8.73 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.218 -179.866 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.7 t 76.95 39.22 0.22 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.79 -179.71 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.59 122.44 11.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.559 179.86 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -47.73 114.92 0.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.082 -179.837 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.473 ' HD3' HG21 ' A' ' 20' ' ' THR . 46.9 mttt -53.62 164.59 0.84 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.942 -179.876 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -64.97 139.19 60.52 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.539 2.159 . . . . 0.0 112.365 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.535 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -58.5 122.58 13.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.915 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.32 22.61 8.54 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.519 -179.928 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.473 HG21 ' HD3' ' A' ' 16' ' ' LYS . 76.2 m -91.11 120.28 31.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.827 0.346 . . . . 0.0 110.807 179.914 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.563 HG22 ' O ' ' A' ' 30' ' ' HIS . 0.0 OUTLIER -66.23 135.05 53.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.918 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 28.2 p -107.01 -31.92 8.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -153.28 78.37 1.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.446 ' HB2' HG21 ' A' ' 21' ' ' THR . 1.7 tmt_? -93.01 145.98 23.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -141.77 -174.99 4.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.905 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.22 -30.8 63.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.3 t -106.4 -32.54 2.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.217 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.01 169.75 8.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -174.67 98.46 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.563 ' O ' HG22 ' A' ' 21' ' ' THR . 3.3 m-70 -102.46 142.66 33.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.962 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.45 ' CE1' HG23 ' A' ' 21' ' ' THR . 38.1 m-85 -125.54 156.17 39.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 179.92 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.7 t -88.57 165.31 14.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.967 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.7 t -109.22 8.35 25.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.364 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.535 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 54.02 24.78 29.01 Favored Glycine 0 C--N 1.332 0.306 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.753 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.1 ttp85 -112.2 -35.98 5.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.832 0.348 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 m -129.11 172.74 11.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.761 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 35.4 m -110.55 22.55 15.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.946 179.89 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -131.11 92.21 3.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.753 179.787 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.4 t -53.12 107.69 0.91 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.078 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.444 ' HB2' ' CD2' ' A' ' 42' ' ' TYR . 55.1 Cg_endo -69.76 177.54 5.48 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.469 2.113 . . . . 0.0 112.277 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.5 p -94.41 46.48 1.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.444 ' CD2' ' HB2' ' A' ' 40' ' ' PRO . 17.5 m-85 -114.1 88.32 14.63 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -51.91 131.44 38.42 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.55 2.167 . . . . 0.0 112.328 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.39 -1.228 . . . . 0.0 112.496 -180.0 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 67.9 m . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.91 0.386 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.7 p -141.55 112.95 7.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.824 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.7 p -101.7 108.4 19.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.62 -157.55 21.33 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.529 -179.787 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -83.44 -43.58 0.07 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.766 2.311 . . . . 0.0 112.863 -179.713 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -92.92 46.03 1.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.948 0.404 . . . . 0.0 111.276 -179.538 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.0 p -170.11 120.45 0.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.969 0.414 . . . . 0.0 111.064 179.701 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.7 mtp180 -58.71 -162.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.954 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.51 -27.09 35.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.603 -179.663 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -167.23 30.41 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -179.625 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.3 mmtt -158.27 128.17 5.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.569 0.223 . . . . 0.0 110.648 179.743 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.653 HD12 ' O ' ' A' ' 16' ' ' LYS . 3.8 pp -43.58 137.7 2.81 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.697 179.947 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.687 ' HD3' HG21 ' A' ' 20' ' ' THR . 22.1 mttt -59.94 160.03 17.6 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.038 -179.072 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_exo -50.73 138.76 40.76 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.579 2.186 . . . . 0.0 112.417 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.558 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -59.75 105.69 0.4 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.033 179.893 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.404 ' O ' ' CD2' ' A' ' 31' ' ' TYR . . . 115.64 28.43 2.74 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.63 179.896 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.687 HG21 ' HD3' ' A' ' 16' ' ' LYS . 89.8 m -102.84 107.59 18.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.855 0.36 . . . . 0.0 110.852 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -47.15 117.03 1.57 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.333 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 28.3 t -69.84 -49.96 47.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 21.3 t90 -151.03 97.81 2.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.71 111.56 23.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.01 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 70.8 p -80.58 -77.94 0.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.772 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.5 m -162.02 29.29 0.12 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.005 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.3 p 179.74 -38.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.102 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 m -60.62 -79.86 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.971 -179.892 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.9 t 59.69 106.83 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -125.32 93.56 3.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.404 ' CD2' ' O ' ' A' ' 19' ' ' GLY . 15.4 m-85 -63.48 142.83 58.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 20' ' ' THR . 0.5 OUTLIER -69.6 158.82 34.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.016 180.0 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.0 t -96.6 2.26 52.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.165 179.811 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.558 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 53.31 29.07 36.93 Favored Glycine 0 C--N 1.332 0.347 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.65 -179.848 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.41 ' C ' HD22 ' A' ' 15' ' ' LEU . 3.2 ttt180 -119.0 -41.83 2.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.892 0.377 . . . . 0.0 110.921 -179.915 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -151.38 158.8 44.21 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.7 t -72.67 -23.95 60.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.113 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -59.89 89.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.948 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 86.8 m -58.04 109.73 2.02 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.03 177.4 0.06 OUTLIER 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.399 2.066 . . . . 0.0 112.292 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.1 m -91.82 -31.5 15.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 28.5 p90 -83.72 151.74 61.92 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.16 -177.5 2.03 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.542 2.161 . . . . 0.0 112.332 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.385 -1.231 . . . . 0.0 112.511 -179.981 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.88 0.371 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 76.8 p -67.56 76.15 0.18 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.2 p -91.92 109.55 20.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.22 -176.05 44.09 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.471 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.01 -27.61 25.05 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.521 2.147 . . . . 0.0 112.333 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 67.8 m -109.36 34.2 3.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.953 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.9 p -172.98 116.01 0.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.956 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -132.73 158.68 41.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.737 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 67.73 12.8 9.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.308 -179.935 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.8 t 75.97 38.62 0.34 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.851 -179.732 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -157.23 140.11 15.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.744 179.882 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.561 HD21 ' HA ' ' A' ' 36' ' ' SER . 0.2 OUTLIER -54.67 121.16 7.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.895 179.983 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.497 ' HD3' HG21 ' A' ' 20' ' ' THR . 8.6 tttp -56.26 148.67 40.93 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.057 -179.937 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.23 142.05 57.45 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.581 2.187 . . . . 0.0 112.308 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.23 116.73 5.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.024 179.927 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.83 2.3 7.97 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.901 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.497 HG21 ' HD3' ' A' ' 16' ' ' LYS . 1.0 OUTLIER -72.35 172.94 9.44 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.849 0.357 . . . . 0.0 110.774 179.911 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.489 ' H ' HG22 ' A' ' 20' ' ' THR . 0.0 OUTLIER -107.0 165.92 10.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.027 -179.941 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -105.2 -70.83 0.76 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.1 t90 -137.1 -71.14 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.3 ttt180 59.97 107.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.894 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.7 m -105.46 -34.66 7.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.08 -39.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -112.2 -33.25 2.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.117 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.6 t -72.95 136.99 45.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 72.5 m -139.0 79.19 1.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -103.03 145.43 29.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -136.2 158.95 43.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 28.8 m -93.72 134.79 35.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.9 t -93.96 14.7 18.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.274 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 53.01 25.25 23.59 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.723 179.937 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -107.98 -35.0 6.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.889 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.561 ' HA ' HD21 ' A' ' 15' ' ' LEU . 7.8 t -161.35 165.65 28.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 82.8 m -71.34 -29.12 64.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -62.78 113.54 3.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.97 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.3 t -61.35 139.88 94.69 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.44 171.74 0.19 Allowed 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.469 2.113 . . . . 0.0 112.317 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.7 p -103.95 -32.8 9.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 22.5 p90 -100.35 154.78 37.01 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.97 168.96 20.34 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.578 2.185 . . . . 0.0 112.314 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.376 -1.236 . . . . 0.0 112.505 179.98 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 34.9 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.825 0.345 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.8 p -58.96 92.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -87.63 116.67 25.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.88 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.12 -179.52 48.88 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.477 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.04 -26.15 21.93 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.638 2.226 . . . . 0.0 112.394 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.6 t -89.06 5.49 44.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.445 -179.845 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.3 m -123.27 153.05 40.72 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.757 0.313 . . . . 0.0 110.77 179.891 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -86.25 -89.45 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.908 -179.856 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.31 -24.82 7.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.758 0.313 . . . . 0.0 110.98 179.901 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.3 t -178.87 36.01 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.027 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -161.74 137.21 7.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.825 179.95 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.62 HD21 ' C ' ' A' ' 36' ' ' SER . 1.4 mt -56.01 114.93 2.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.729 179.889 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.25 147.94 12.63 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.975 -179.849 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -52.65 143.0 48.31 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.58 2.187 . . . . 0.0 112.388 -179.926 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.99 127.16 30.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.05 179.916 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.43 -5.18 21.39 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.773 -179.92 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.3 m -80.76 112.43 18.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.814 0.34 . . . . 0.0 110.807 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.441 HG23 ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -65.41 147.41 53.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -179.944 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 34.4 m -91.56 -74.85 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.972 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 21.2 t90 -82.31 -36.4 27.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? 59.21 108.48 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -155.23 162.62 40.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.9 t -85.69 56.84 4.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.0 p -178.51 -38.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.156 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 92.3 p -133.6 84.61 2.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 t -79.44 82.89 5.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -72.36 93.59 1.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.987 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.441 ' CD1' HG23 ' A' ' 21' ' ' THR . 22.2 m-85 -85.69 155.97 20.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 179.944 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.2 m -94.74 135.76 35.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.5 p -95.55 12.79 28.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.011 179.855 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.8 28.44 3.78 Favored Glycine 0 C--N 1.333 0.374 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.88 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.469 ' O ' HD11 ' A' ' 15' ' ' LEU . 8.3 mmt-85 -115.22 -35.59 4.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.791 0.329 . . . . 0.0 111.165 -179.799 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.62 ' C ' HD21 ' A' ' 15' ' ' LEU . 1.3 m -133.21 152.9 51.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.979 -179.939 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -71.31 -24.12 62.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.953 179.838 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -94.78 125.48 39.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.794 179.884 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -58.81 146.52 75.22 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.98 -179.916 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.77 177.71 7.26 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.569 2.179 . . . . 0.0 112.346 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.4 m -101.78 33.77 2.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -105.48 88.24 2.58 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.49 96.99 0.59 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.534 2.156 . . . . 0.0 112.296 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.385 -1.231 . . . . 0.0 112.509 -179.984 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 73.2 m . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.88 0.372 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.3 90.59 3.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.611 179.812 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -44.82 96.23 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.427 -179.71 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.17 -166.66 13.99 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.402 -179.956 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -74.95 -26.61 10.86 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.634 2.223 . . . . 0.0 112.601 -179.836 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.405 ' CB ' ' HA ' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -98.19 31.92 2.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.096 -179.836 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.4 m -159.37 110.6 2.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.622 179.793 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.71 -87.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.128 -179.681 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -121.49 -19.73 6.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.609 0.243 . . . . 0.0 111.318 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 176.58 36.85 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.022 -179.827 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.3 tptm -148.96 120.5 7.97 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.857 0.361 . . . . 0.0 110.907 -179.953 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.777 HD13 ' HA ' ' A' ' 35' ' ' ARG . 48.7 mt -47.95 115.96 1.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.777 179.788 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.591 ' HD3' HG21 ' A' ' 20' ' ' THR . 3.9 mttt -47.12 144.39 4.11 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.966 -179.639 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -49.98 128.06 20.99 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.556 2.17 . . . . 0.0 112.498 -179.772 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.3 101.42 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.032 179.878 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 139.88 -14.61 3.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.463 -179.744 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.591 HG21 ' HD3' ' A' ' 16' ' ' LYS . 23.0 m -69.66 112.17 5.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.812 0.339 . . . . 0.0 110.659 179.869 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.57 142.65 50.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.976 -179.752 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -77.19 -57.38 3.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 18.4 t90 -106.7 -71.6 0.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.956 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.67 97.76 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.962 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.87 -34.04 12.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.0 p -178.31 -39.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.478 HG13 ' N ' ' A' ' 28' ' ' SER . 12.3 p -129.91 -44.02 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.138 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.478 ' N ' HG13 ' A' ' 27' ' ' VAL . 23.2 t -66.03 104.25 1.1 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.901 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 73.2 m -131.37 115.72 16.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -77.04 -37.75 54.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 62.66 127.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -73.19 140.83 47.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.0 p -94.85 14.7 20.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.044 179.872 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.38 31.21 6.47 Favored Glycine 0 C--N 1.332 0.339 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.917 179.901 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.777 ' HA ' HD13 ' A' ' 15' ' ' LEU . 27.2 ttm-85 -144.91 19.3 1.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.621 0.248 . . . . 0.0 111.317 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.679 ' N ' HD22 ' A' ' 15' ' ' LEU . 17.9 p -178.26 136.37 0.16 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.779 0.323 . . . . 0.0 110.812 179.882 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.405 ' HA ' ' CB ' ' A' ' 9' ' ' CYS . 3.8 m -78.91 -8.56 58.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.271 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -96.29 93.04 6.65 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.858 0.361 . . . . 0.0 110.823 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.4 p -57.47 109.59 1.87 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.53 176.75 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.433 2.089 . . . . 0.0 112.308 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -112.84 37.17 3.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -114.49 87.52 14.18 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.2 -176.69 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.548 2.166 . . . . 0.0 112.323 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.4 -1.222 . . . . 0.0 112.497 -179.958 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.463 0.191 0 CA-C-O 120.56 0.219 . . . . 0.0 111.538 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.655 HG22 ' HB3' ' A' ' 37' ' ' CYS . 0.2 OUTLIER 58.08 106.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 0.0 110.954 179.863 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.3 p -110.91 125.26 53.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 179.873 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.6 -162.53 36.32 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.579 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -78.56 -41.66 0.25 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.724 2.283 . . . . 0.0 112.717 -179.765 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.415 ' CB ' ' HA ' ' A' ' 37' ' ' CYS . 3.4 m -85.6 54.69 3.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.919 0.39 . . . . 0.0 111.215 -179.745 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.403 ' HA ' ' N ' ' A' ' 16' ' ' LYS . 24.2 p 179.49 129.47 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.702 179.69 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -55.17 -42.01 72.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.059 -179.755 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 165.65 -29.31 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.245 -179.923 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.6 m -138.62 10.92 2.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.65 -179.843 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -159.66 133.78 7.49 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.749 0.309 . . . . 0.0 110.66 179.887 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.785 HD22 ' O ' ' A' ' 35' ' ' ARG . 1.9 pp -48.18 131.12 16.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.604 179.897 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.692 ' O ' HD12 ' A' ' 15' ' ' LEU . 12.9 mttp -65.47 160.43 59.51 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.707 -179.61 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -64.37 137.22 54.66 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.517 2.144 . . . . 0.0 112.232 179.87 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.621 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -50.18 157.31 0.68 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.205 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.34 -16.45 61.06 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.678 -179.938 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -57.02 175.07 0.14 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.916 0.388 . . . . 0.0 110.859 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.479 HG21 ' CG ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -126.69 132.7 51.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.892 -179.928 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.0 t -95.78 -31.88 12.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -165.94 83.13 0.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.479 ' CG ' HG21 ' A' ' 21' ' ' THR . 4.8 ptm180 -106.45 104.53 14.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.904 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.603 ' O ' HG23 ' A' ' 27' ' ' VAL . 2.8 m -119.16 30.04 7.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.6 m 58.83 30.83 20.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.943 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.603 HG23 ' O ' ' A' ' 25' ' ' THR . 21.4 t -128.95 -44.56 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.24 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 97.1 p -114.79 -36.88 4.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.1 m 59.77 79.5 0.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.561 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 0.5 OUTLIER -92.29 163.55 13.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.987 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -140.99 152.96 45.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 11.9 t -83.03 132.74 35.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.513 HG23 ' H ' ' A' ' 35' ' ' ARG . 8.9 t -68.78 -12.17 61.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.23 179.872 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.621 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 59.74 29.77 67.91 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.4 -179.773 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.785 ' O ' HD22 ' A' ' 15' ' ' LEU . 3.1 tmt_? -120.73 -38.32 2.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.822 0.344 . . . . 0.0 111.01 -179.853 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 m -155.48 159.59 39.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.719 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.655 ' HB3' HG22 ' A' ' 5' ' ' THR . 4.4 t -72.74 -25.4 61.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.039 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -59.2 88.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.835 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.3 m -55.87 108.75 1.29 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.986 -179.891 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.27 177.55 5.81 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.427 2.084 . . . . 0.0 112.289 179.971 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.6 t -100.9 41.08 1.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -105.1 88.55 2.49 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.561 ' HB3' ' CE1' ' A' ' 30' ' ' HIS . 51.7 Cg_endo -69.12 115.17 3.87 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.571 2.18 . . . . 0.0 112.319 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.369 -1.239 . . . . 0.0 112.475 179.981 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.845 0.355 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.405 ' CG2' ' HB3' ' A' ' 37' ' ' CYS . 0.2 OUTLIER 63.92 135.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.716 -179.851 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -123.33 134.69 54.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.912 -179.937 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.21 -162.89 34.61 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.427 -179.895 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -79.22 -43.83 0.14 Allowed 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.629 2.219 . . . . 0.0 112.6 -179.808 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -62.31 -27.83 69.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.227 -179.732 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.5 p -111.76 128.78 56.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.836 179.903 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.3 mtp85 -58.43 -91.04 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.186 -179.667 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -123.49 -19.18 5.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.576 0.227 . . . . 0.0 111.413 -179.786 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.1 m -171.36 29.37 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.696 -0.229 . . . . 0.0 111.466 -179.747 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.5 tttt -170.19 122.57 0.67 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.768 0.318 . . . . 0.0 110.84 179.911 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.611 HD13 ' C ' ' A' ' 35' ' ' ARG . 0.1 OUTLIER -47.85 115.65 1.23 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.713 179.818 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.789 ' HD2' HG21 ' A' ' 20' ' ' THR . 7.7 mttm -46.75 164.05 0.23 Allowed Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 -179.599 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -56.24 138.33 82.96 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.598 2.199 . . . . 0.0 112.191 179.909 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.31 119.0 4.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.224 179.939 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.46 13.19 8.31 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.723 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.789 HG21 ' HD2' ' A' ' 16' ' ' LYS . 10.9 m -91.69 118.87 31.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.853 0.359 . . . . 0.0 110.766 179.926 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 t -50.66 139.36 16.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.19 -179.858 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 51.4 t -113.06 101.47 9.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 71.0 t90 60.54 95.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.81 127.56 55.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.1 p -92.15 -78.4 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.21 37.73 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.1 p -178.5 -38.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 179.919 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.8 p -80.16 -78.11 0.17 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.4 t 60.17 108.5 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -93.14 -168.76 2.0 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -152.57 112.49 3.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 14.7 t -66.04 143.72 57.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.819 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.499 HG23 ' HB2' ' A' ' 35' ' ' ARG . 1.9 t -90.66 10.47 25.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.354 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.473 ' O ' HD12 ' A' ' 15' ' ' LEU . . . 50.17 28.41 13.2 Favored Glycine 0 C--N 1.332 0.341 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.726 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.611 ' C ' HD13 ' A' ' 15' ' ' LEU . 3.7 mmt180 -102.51 -35.71 8.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.835 0.35 . . . . 0.0 111.004 -179.833 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -166.74 171.8 11.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.947 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.405 ' HB3' ' CG2' ' A' ' 5' ' ' THR . 6.7 t -74.81 -25.77 59.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.064 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -58.87 88.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.927 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 36.0 t -59.92 110.52 2.87 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.447 ' HB2' ' CE1' ' A' ' 42' ' ' TYR . 52.9 Cg_exo -52.68 177.22 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.433 2.089 . . . . 0.0 112.263 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -126.38 65.65 1.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.447 ' CE1' ' HB2' ' A' ' 40' ' ' PRO . 14.3 p90 -141.52 149.21 53.37 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.51 127.68 25.1 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.559 2.173 . . . . 0.0 112.286 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.512 179.963 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.839 0.352 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 47.1 p -63.58 109.68 1.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.671 HG23 ' HA ' ' A' ' 12' ' ' GLN . 12.9 m -117.44 155.63 29.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.94 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.74 -169.51 29.25 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.513 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.28 -37.1 6.19 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.609 2.206 . . . . 0.0 112.421 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -100.13 31.67 3.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.943 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 55.9 m -144.83 160.89 40.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.88 31.97 2.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.992 -179.9 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.671 ' HA ' HG23 ' A' ' 6' ' ' THR . 1.7 tp60 69.96 9.34 7.07 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.492 179.941 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.4 m -164.14 -41.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.693 0.282 . . . . 0.0 111.245 -179.957 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.7 mttm -128.06 159.11 36.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.829 0.347 . . . . 0.0 110.997 -179.867 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.452 HD13 ' HA ' ' A' ' 35' ' ' ARG . 59.6 mt -59.07 132.64 54.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 179.884 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -59.07 149.46 66.74 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.743 179.913 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -51.53 121.95 9.41 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.524 2.149 . . . . 0.0 112.384 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.73 109.38 0.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.1 179.891 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.26 23.97 4.32 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.497 -179.74 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.1 m -100.81 127.46 47.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.785 0.326 . . . . 0.0 110.56 179.918 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.571 HG22 ' HA ' ' A' ' 29' ' ' SER . 0.1 OUTLIER -49.87 163.28 0.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.314 -179.645 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.0 t -154.13 -45.98 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.012 -179.887 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.418 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 0.9 OUTLIER -175.72 -178.56 1.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.086 -179.83 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.418 ' HB2' ' O ' ' A' ' 23' ' ' TRP . 0.0 OUTLIER 175.34 -33.64 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.832 179.852 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 75.21 48.66 0.09 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.807 -179.803 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 m -178.81 -72.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.741 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.519 HG22 ' O ' ' A' ' 27' ' ' VAL . 11.8 p -123.94 -3.29 6.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.635 179.95 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.6 p 57.64 106.71 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.864 0.364 . . . . 0.0 111.014 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.571 ' HA ' HG22 ' A' ' 21' ' ' THR . 40.4 t -176.66 36.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.225 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.412 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -65.38 -29.89 70.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.773 179.836 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 60.0 105.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.976 179.894 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.4 t -70.25 159.67 33.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 179.904 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.7 t -100.52 7.36 44.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.383 -179.904 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.2 36.01 9.64 Favored Glycine 0 C--N 1.333 0.41 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.784 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.452 ' HA ' HD13 ' A' ' 15' ' ' LEU . 6.7 mmm180 -108.17 -37.58 5.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.838 0.351 . . . . 0.0 111.121 -179.837 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.5 p -153.03 161.89 41.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.966 -179.922 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.1 m -70.82 -28.5 64.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.807 179.846 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -63.19 84.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.8 t -54.95 108.27 1.11 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.96 -179.899 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.23 177.63 6.37 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.436 2.091 . . . . 0.0 112.327 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.6 m -108.88 54.84 0.65 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -105.68 87.62 2.36 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.937 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.412 ' HB3' ' CE1' ' A' ' 30' ' ' HIS . 54.2 Cg_endo -69.73 125.62 12.38 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.567 2.178 . . . . 0.0 112.279 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.414 -1.215 . . . . 0.0 112.461 179.998 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 CA--C 1.529 0.156 0 CA-C-O 120.56 0.219 . . . . 0.0 111.343 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.8 p 49.47 71.47 0.38 Allowed 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.834 0.35 . . . . 0.0 111.07 -179.888 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.92 153.67 24.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.873 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.71 -164.74 30.4 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.521 -179.875 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -76.03 -45.19 0.23 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.625 2.217 . . . . 0.0 112.645 -179.88 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -95.05 52.46 1.45 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.051 -179.815 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.7 m -132.9 145.83 51.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.826 179.915 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.04 74.43 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.799 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 68.98 -68.28 0.19 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.005 -179.919 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.7 t -144.59 30.29 1.22 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.4 mptt -152.4 130.12 11.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.795 179.957 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.696 HD11 ' HA ' ' A' ' 36' ' ' SER . 0.3 OUTLIER -50.02 121.61 5.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.933 179.907 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.0 155.3 3.26 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.955 -179.733 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -65.1 144.84 83.25 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.595 2.196 . . . . 0.0 112.385 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.12 165.63 1.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.011 179.889 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.404 ' O ' ' CD2' ' A' ' 31' ' ' TYR . . . 61.78 17.77 55.18 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.631 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.0 m -110.57 111.76 23.21 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.839 0.352 . . . . 0.0 110.853 179.897 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 t -56.79 167.37 0.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 -179.923 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 90.8 m -107.59 -42.13 4.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.789 ' CZ3' HG21 ' A' ' 25' ' ' THR . 31.9 t90 -129.1 83.85 2.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.951 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.5 ptt180 -60.96 136.57 58.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.789 HG21 ' CZ3' ' A' ' 23' ' ' TRP . 2.5 t -171.44 161.76 6.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -88.66 54.08 2.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -152.08 -45.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 179.949 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.8 t -166.96 136.17 2.85 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.0 p -116.93 149.46 40.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -128.26 80.1 1.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.404 ' CD2' ' O ' ' A' ' 19' ' ' GLY . 27.6 m-85 -60.1 132.24 53.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.3 m -76.22 173.13 11.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.904 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.3 p -116.7 14.4 15.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.225 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.24 24.41 15.73 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.737 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 42.5 mtm-85 -114.41 -33.17 5.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.73 0.3 . . . . 0.0 110.986 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.696 ' HA ' HD11 ' A' ' 15' ' ' LEU . 1.5 m -142.05 156.47 45.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.1 m -70.38 -26.81 63.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.762 179.879 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -69.33 157.74 36.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 179.933 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.54 93.06 30.99 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -67.64 178.19 3.48 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.495 2.13 . . . . 0.0 112.246 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.6 m -84.55 57.18 4.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -123.71 76.91 56.46 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.79 -27.09 26.77 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.592 2.195 . . . . 0.0 112.357 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.402 -1.221 . . . . 0.0 112.494 -179.969 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 39.6 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.811 0.339 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.512 HG23 ' SG ' ' A' ' 10' ' ' CYS . 2.1 t -72.64 64.48 0.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.748 179.854 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.66 108.47 0.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.004 -179.845 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.63 -162.85 13.49 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.47 179.958 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.0 -33.46 3.63 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.623 2.215 . . . . 0.0 112.563 -179.8 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.0 t -102.22 29.88 4.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.256 -179.809 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.512 ' SG ' HG23 ' A' ' 5' ' ' THR . 17.9 m -146.65 109.11 4.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.971 179.907 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.8 ttt85 -119.78 139.22 52.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.728 179.844 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.41 ' O ' ' HB3' ' A' ' 13' ' ' CYS . 1.4 mp0 64.4 14.64 8.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.327 -179.927 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.41 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 23.5 t 72.58 50.31 0.18 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.844 -179.833 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -148.02 109.56 4.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.57 179.789 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 mt -45.05 104.0 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.007 -179.95 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt -46.88 149.65 1.49 Allowed Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.122 -179.689 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -65.55 143.83 76.77 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.517 2.145 . . . . 0.0 112.345 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.01 154.99 4.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.139 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.408 ' O ' ' CD1' ' A' ' 31' ' ' TYR . . . 86.39 -6.3 82.37 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.731 -179.819 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.4 m -93.01 113.85 26.24 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.831 0.348 . . . . 0.0 110.845 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 t -58.96 168.32 1.33 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.973 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.9 p -153.79 31.58 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.423 ' CH2' HG21 ' A' ' 27' ' ' VAL . 21.5 t90 -174.19 85.38 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -104.35 123.37 47.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.959 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 25' ' ' THR . 18.7 m -155.89 30.94 0.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.6 m 59.6 29.99 19.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.423 HG21 ' CH2' ' A' ' 23' ' ' TRP . 6.9 m -116.42 -37.48 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.187 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.0 t -177.25 -169.75 0.25 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.941 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.4 86.72 2.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -77.36 80.72 3.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.408 ' CD1' ' O ' ' A' ' 19' ' ' GLY . 31.4 m-85 -65.18 141.01 58.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 14.8 m -76.19 166.14 23.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.4 p -109.33 11.15 25.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.234 179.911 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 51.47 50.43 41.72 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.752 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.2 mtp85 -151.02 -46.18 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.867 0.365 . . . . 0.0 111.061 -179.922 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 40.3 t -135.08 152.83 52.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.948 -179.943 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.71 -24.94 62.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.841 179.917 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -59.06 105.71 0.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.97 -179.93 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 84.6 m -63.07 111.58 5.2 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.4 159.77 4.14 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.397 2.065 . . . . 0.0 112.305 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.1 m -99.37 31.94 2.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -148.73 152.26 37.17 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.06 137.85 35.53 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.516 2.144 . . . . 0.0 112.327 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.394 -1.226 . . . . 0.0 112.517 -179.991 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.8 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.834 0.35 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.495 HG22 ' HB2' ' A' ' 37' ' ' CYS . 1.3 m -70.31 103.42 2.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.947 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.09 157.8 21.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.93 -169.27 25.35 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.511 -179.88 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -74.48 -45.11 0.34 Allowed 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.649 2.232 . . . . 0.0 112.516 -179.865 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 50.6 t -86.63 57.81 4.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.963 0.411 . . . . 0.0 111.004 -179.849 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.0 m -136.21 134.53 38.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.63 179.865 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -34.62 76.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 165.33 -30.24 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.085 -179.9 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -155.36 26.3 0.41 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.868 179.918 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -173.19 169.88 4.45 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.904 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.401 ' CD2' ' N ' ' A' ' 37' ' ' CYS . 67.3 mt -60.67 137.67 58.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.029 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.8 mttm -72.37 155.46 91.34 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.519 179.754 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -58.8 128.93 29.84 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.534 2.156 . . . . 0.0 112.176 179.924 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.24 116.72 2.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.287 -179.959 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.31 22.18 5.94 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.508 -179.854 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.8 m -112.55 115.92 29.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.844 0.354 . . . . 0.0 110.868 -179.976 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.7 t -59.76 145.74 44.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 71.6 m -84.74 -66.76 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.815 ' CZ3' HG21 ' A' ' 25' ' ' THR . 26.6 t90 -106.72 146.68 30.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.977 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.5 mtt180 -111.84 143.14 43.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.815 HG21 ' CZ3' ' A' ' 23' ' ' TRP . 1.8 t -176.77 162.9 2.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 t -90.96 51.18 1.91 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.85 -179.989 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -152.0 -45.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.164 179.992 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.3 m -156.16 179.99 8.7 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.945 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.8 t -150.72 146.5 26.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -109.24 81.24 1.41 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.981 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -67.53 112.24 4.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.4 t -72.58 146.69 46.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 179.966 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.3 t -95.41 13.18 26.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.356 -179.926 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.47 25.41 20.26 Favored Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.755 179.975 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.6 ttt85 -107.03 -34.27 7.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.815 0.34 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.6 p -146.43 151.23 37.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.495 ' HB2' HG22 ' A' ' 5' ' ' THR . 1.1 m -72.32 -22.47 61.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.957 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -81.93 102.37 10.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.823 179.924 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.3 m -59.03 149.41 66.63 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.972 -179.955 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.63 177.59 6.02 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.592 2.194 . . . . 0.0 112.34 179.944 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 86.6 p -88.62 -31.49 18.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 179.943 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 31.5 p90 -86.39 149.04 48.45 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.1 -62.07 0.39 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.572 2.181 . . . . 0.0 112.321 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.38 -1.233 . . . . 0.0 112.508 -179.986 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 79.3 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.839 0.352 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.4 ' CG2' ' CB ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -64.15 147.68 51.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.81 179.932 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.6 p -126.39 128.89 47.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.032 -179.859 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.6 -166.29 33.78 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.521 179.926 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -78.86 -44.79 0.13 Allowed 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.74 2.293 . . . . 0.0 112.811 -179.712 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -62.69 -33.47 75.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.076 -179.645 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.0 p -102.6 144.86 30.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.738 179.825 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.89 -81.92 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.811 -179.682 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -140.7 8.99 2.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.509 -179.92 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.2 t -176.63 -29.01 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -179.915 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.8 tttp -129.42 144.28 51.18 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.957 0.408 . . . . 0.0 111.183 -179.489 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.82 HD13 ' C ' ' A' ' 35' ' ' ARG . 0.2 OUTLIER -56.52 124.29 17.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.535 179.623 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.559 ' HD3' HG21 ' A' ' 20' ' ' THR . 2.1 mttm -57.67 156.88 15.89 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.683 -179.797 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -55.24 141.69 80.22 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.524 2.149 . . . . 0.0 112.08 179.905 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.53 113.43 0.89 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.232 -179.97 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 138.56 -12.67 3.47 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.681 -179.902 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.559 HG21 ' HD3' ' A' ' 16' ' ' LYS . 1.6 m -70.81 117.32 12.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.831 0.348 . . . . 0.0 110.682 179.955 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.1 148.54 47.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.094 -179.783 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -83.64 -31.15 26.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -140.62 -66.59 0.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.1 ttt-85 60.93 107.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 39.9 p -149.99 36.43 0.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.818 -179.978 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.8 t 78.19 -56.38 0.48 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.068 -179.918 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -82.92 -30.86 8.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.133 -179.976 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 97.8 p -118.88 159.89 22.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.2 p -176.86 118.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -126.03 90.86 3.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.963 179.989 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -67.64 147.34 52.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.96 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 9.7 t -82.62 134.42 35.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.2 t -72.19 -9.44 58.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.249 179.944 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.16 36.8 90.74 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.558 -0.83 . . . . 0.0 112.301 -179.846 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.82 ' C ' HD13 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -118.43 -38.09 3.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.766 0.317 . . . . 0.0 111.025 -179.903 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.478 ' HA ' HD22 ' A' ' 15' ' ' LEU . 32.0 p -162.18 172.46 15.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.011 -179.941 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.4 ' CB ' ' CG2' ' A' ' 5' ' ' THR . 15.5 t -72.7 -20.62 61.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.075 179.905 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -62.02 88.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.81 179.995 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.56 145.61 76.16 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.02 163.81 1.95 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.53 2.153 . . . . 0.0 112.369 179.938 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.6 p -109.97 -30.81 7.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.916 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 27.3 p90 -84.43 161.28 54.69 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.53 -175.04 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.563 2.176 . . . . 0.0 112.389 179.986 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.423 -1.21 . . . . 0.0 112.512 -179.982 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 CA--C 1.529 0.161 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.676 HG22 ' SG ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER 52.01 72.11 0.41 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.826 0.346 . . . . 0.0 111.015 179.919 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -87.13 150.25 24.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.818 -179.978 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.16 -166.42 28.5 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.617 -179.851 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_exo -66.15 -60.02 0.12 Allowed 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.887 2.391 . . . . 0.0 112.653 -179.667 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 98.1 m -82.91 56.79 3.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.935 0.398 . . . . 0.0 111.232 -179.582 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.9 m -134.26 162.82 31.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.761 179.797 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.0 ttt-85 -132.34 77.7 1.77 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.926 -179.947 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 69.99 -65.49 0.31 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.897 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.4 t -150.98 31.17 0.62 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.056 -179.738 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -156.77 145.94 20.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.509 HD11 ' O ' ' A' ' 35' ' ' ARG . 0.2 OUTLIER -54.85 128.74 34.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 179.964 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -57.4 159.93 7.95 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.942 -179.87 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.8 146.62 54.85 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.553 2.169 . . . . 0.0 112.374 179.98 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.07 103.44 2.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.024 179.87 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.64 31.53 1.34 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.634 179.971 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.476 HG22 ' H ' ' A' ' 21' ' ' THR . 1.2 m -98.43 172.3 7.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.768 0.318 . . . . 0.0 110.805 179.916 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.476 ' H ' HG22 ' A' ' 20' ' ' THR . 0.2 OUTLIER -121.9 113.7 19.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.871 -179.967 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.5 p -90.18 -34.74 15.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 57.4 t90 -167.76 95.86 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.3 ptt85 -100.32 154.55 18.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -136.63 -177.08 4.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.14 -32.94 33.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 179.972 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.8 m -84.3 -32.37 8.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.096 179.957 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.4 t -146.56 -170.61 3.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -158.95 126.89 5.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 29.0 m170 -100.04 101.65 12.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -105.0 147.66 27.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.0 m -88.34 134.89 33.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.799 179.93 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.8 t -95.42 18.68 12.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.155 -179.984 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.01 24.84 15.55 Favored Glycine 0 CA--C 1.518 0.27 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.761 179.957 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.509 ' O ' HD11 ' A' ' 15' ' ' LEU . 2.0 tpt180 -116.95 -37.76 3.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.787 0.327 . . . . 0.0 110.943 -179.915 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.458 ' HA ' HD11 ' A' ' 15' ' ' LEU . 36.9 m -142.69 151.82 41.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.676 ' SG ' HG22 ' A' ' 5' ' ' THR . 1.3 m -72.44 -22.6 61.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.944 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -78.26 115.33 17.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.81 179.914 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.0 m -61.71 153.67 70.15 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.09 150.93 66.91 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.533 2.156 . . . . 0.0 112.327 179.95 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 95.4 p -98.47 35.53 1.78 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -180.0 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.412 ' CD1' ' N ' ' A' ' 42' ' ' TYR . 3.7 p90 -158.08 154.62 24.6 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.18 163.45 1.57 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.548 2.166 . . . . 0.0 112.295 179.987 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.027 0 CA-C-O 118.372 -1.238 . . . . 0.0 112.516 179.988 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 41.3 m . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.818 0.342 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.7 p -59.04 112.87 1.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.732 179.832 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -113.24 143.84 43.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.926 -179.985 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.03 -156.91 26.98 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.508 -179.908 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.13 -44.65 0.25 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.642 2.228 . . . . 0.0 112.59 -179.812 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.7 m -95.89 57.64 1.84 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.097 -179.831 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.424 ' HB3' ' HA ' ' A' ' 15' ' ' LEU . 0.5 OUTLIER -173.86 135.08 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.88 179.838 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -133.39 150.83 51.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.627 179.878 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 66.74 -74.79 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -166.95 30.39 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.17 -179.831 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -164.33 158.81 19.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.806 0.336 . . . . 0.0 110.941 179.957 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.602 HD12 ' O ' ' A' ' 16' ' ' LYS . 4.0 pp -58.06 138.44 56.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.799 179.924 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.602 ' O ' HD12 ' A' ' 15' ' ' LEU . 0.8 OUTLIER -60.34 165.75 4.88 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.809 -179.884 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -65.23 143.16 76.41 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.557 2.171 . . . . 0.0 112.236 179.927 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.6 157.95 4.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.093 -179.989 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 62.03 24.17 64.66 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.566 -179.951 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 66.4 m -118.35 124.63 48.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.809 0.337 . . . . 0.0 110.833 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.853 HG21 ' HD2' ' A' ' 24' ' ' ARG . 1.4 t -57.38 146.33 29.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.0 -179.97 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.6 p -107.14 -40.62 5.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 -179.973 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 19.7 t90 -96.26 -70.83 0.7 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.978 179.978 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.853 ' HD2' HG21 ' A' ' 21' ' ' THR . 3.3 ttt180 61.15 155.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.922 179.985 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.427 HG23 ' O ' ' A' ' 24' ' ' ARG . 15.3 p -156.71 -78.19 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.971 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.93 -39.27 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.919 179.943 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.1 p -104.33 -32.34 2.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.065 179.991 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.9 m -125.0 107.4 10.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 179.959 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.8 m -100.09 164.85 11.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.982 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -133.35 -176.29 4.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -153.65 125.28 7.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.8 t -83.76 154.05 23.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.8 t -94.57 1.64 55.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.357 179.995 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.543 ' C ' HD13 ' A' ' 15' ' ' LEU . . . 55.32 39.24 71.5 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.608 -179.959 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.491 ' C ' HD22 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -117.72 -37.13 3.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.789 0.328 . . . . 0.0 111.084 -179.856 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.1 t -161.46 173.91 14.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.951 -179.95 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 98.9 m -69.92 -28.39 65.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.809 179.903 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -62.17 84.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.9 t -63.14 134.14 95.7 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.826 179.961 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.73 172.71 13.05 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.47 2.113 . . . . 0.0 112.287 179.984 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.0 t -114.33 35.13 4.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -106.12 86.7 2.12 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 179.954 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.99 97.13 0.64 Allowed 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.564 2.176 . . . . 0.0 112.288 179.984 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.087 0 CA-C-O 118.404 -1.22 . . . . 0.0 112.477 179.972 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.87 0.367 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 63.94 135.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.791 -179.922 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.43 138.88 52.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.983 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.72 -165.61 33.61 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.527 -179.988 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.36 -25.87 21.19 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.649 2.233 . . . . 0.0 112.494 -179.943 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -97.93 29.71 3.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.056 -179.888 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 62.5 m -124.38 140.35 53.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.663 179.841 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.2 mtt-85 -84.66 -89.37 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.077 -179.782 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -119.13 -22.0 7.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.659 0.266 . . . . 0.0 111.222 -179.917 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 179.43 37.96 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.979 -179.882 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? -167.07 147.44 5.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.931 -179.954 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.423 HD21 ' C ' ' A' ' 36' ' ' SER . 0.2 OUTLIER -58.54 118.59 5.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 179.93 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.419 ' CE ' HG21 ' A' ' 20' ' ' THR . 27.4 mtmt -56.66 155.35 14.69 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.924 -179.915 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -68.7 145.72 64.34 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.567 2.178 . . . . 0.0 112.33 179.997 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.423 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -57.42 123.12 14.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.112 179.978 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.91 -25.43 5.83 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.493 -179.899 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.419 HG21 ' CE ' ' A' ' 16' ' ' LYS . 3.2 m -67.31 120.73 14.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.795 0.331 . . . . 0.0 110.874 179.963 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.828 HG23 ' CD2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -80.54 140.36 35.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.939 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 15.8 p -104.61 -42.51 5.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.957 -179.989 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -115.03 144.81 43.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -176.27 92.05 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.966 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.9 t -81.36 -36.95 29.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.5 t -178.53 -39.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.4 p -117.74 -37.4 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.135 -179.973 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 m -62.16 155.78 23.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.961 -179.977 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 p -167.42 110.73 0.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 32.1 m-70 -119.74 96.07 5.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.828 ' CD2' HG23 ' A' ' 21' ' ' THR . 40.1 m-85 -73.91 154.37 39.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 35.4 m -74.41 147.22 42.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 179.952 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 20.7 p -92.95 6.73 46.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.272 179.935 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.423 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 51.73 27.82 20.98 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.778 179.887 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -136.92 -45.47 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.907 0.384 . . . . 0.0 111.135 -179.968 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.423 ' C ' HD21 ' A' ' 15' ' ' LEU . 1.4 m -123.31 140.51 52.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.899 -179.927 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.7 t -76.27 -13.31 60.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.27 179.898 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -83.82 102.54 12.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.824 0.345 . . . . 0.0 110.82 179.965 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -58.57 148.47 65.98 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.47 177.41 6.09 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.576 2.184 . . . . 0.0 112.303 -179.96 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.4 t -105.34 -31.19 9.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.953 179.928 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 28.2 p90 -84.84 149.98 54.84 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 179.967 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.0 -178.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.569 2.18 . . . . 0.0 112.332 -179.971 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.378 -1.234 . . . . 0.0 112.542 179.993 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.835 0.35 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.526 HG22 ' SG ' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -60.66 107.64 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.736 179.839 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.15 172.19 7.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.34 165.3 14.11 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.456 -179.991 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -52.97 -25.57 28.54 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.59 2.193 . . . . 0.0 112.373 179.971 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.6 t -107.64 25.91 10.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.097 -179.893 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.7 m -158.88 109.21 2.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 -124.79 144.41 50.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.675 179.839 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 64.04 14.72 8.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.343 -179.843 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.1 m 71.7 48.08 0.32 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.922 -179.817 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -155.84 125.32 6.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.66 179.831 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.508 HD11 ' CA ' ' A' ' 36' ' ' SER . 4.1 mm? -47.43 121.81 4.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.94 -179.906 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -49.58 151.62 2.82 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.067 -179.735 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.0 117.17 3.47 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.534 2.156 . . . . 0.0 112.374 -179.902 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.527 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -57.13 114.59 2.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.047 179.801 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.48 15.41 5.45 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.784 -179.926 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.429 HG22 ' HB2' ' A' ' 32' ' ' CYS . 12.8 t -114.04 173.93 6.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.632 0.253 . . . . 0.0 110.459 179.81 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.1 t -74.55 164.56 26.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.787 179.958 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.38 87.31 2.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.484 ' CH2' HG21 ' A' ' 25' ' ' THR . 1.0 OUTLIER 58.73 173.73 0.07 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.97 179.956 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -161.13 110.15 1.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.484 HG21 ' CH2' ' A' ' 23' ' ' TRP . 0.8 OUTLIER -122.49 29.92 6.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 -179.992 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 57.64 22.32 8.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.228 -179.977 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.624 HG22 ' O ' ' A' ' 27' ' ' VAL . 14.7 p -177.97 36.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.901 0.381 . . . . 0.0 111.102 179.914 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m 176.72 72.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.741 179.96 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.2 p -107.03 126.83 52.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.967 -179.92 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 -138.83 -162.94 1.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.584 179.897 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -136.95 145.2 43.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.875 0.369 . . . . 0.0 111.153 -179.934 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.429 ' HB2' HG22 ' A' ' 20' ' ' THR . 5.0 m -86.94 125.92 34.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.739 179.899 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.2 p -91.19 14.57 13.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.961 179.641 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.527 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 46.77 43.84 16.77 Favored Glycine 0 C--N 1.334 0.425 0 C-N-CA 120.894 -0.669 . . . . 0.0 112.83 179.963 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -139.42 -46.4 0.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 111.165 -179.806 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.508 ' CA ' HD11 ' A' ' 15' ' ' LEU . 3.7 m -131.54 148.43 52.62 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.025 -179.833 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.526 ' SG ' HG22 ' A' ' 5' ' ' THR . 29.1 m -72.67 -20.55 61.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.098 179.882 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -77.59 107.93 10.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 89.9 m -57.46 109.68 1.93 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.5 177.37 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.401 2.067 . . . . 0.0 112.271 179.97 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.42 31.54 3.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.862 -179.974 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -108.18 80.18 1.05 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.92 174.4 9.7 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.617 2.211 . . . . 0.0 112.278 -179.977 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.406 -1.219 . . . . 0.0 112.51 179.994 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 19.6 m . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.823 0.344 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.72 63.5 1.31 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.742 -179.885 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.63 142.5 27.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.109 -179.849 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.76 178.23 37.95 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.402 -179.961 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -69.0 -28.08 29.31 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.579 2.186 . . . . 0.0 112.275 179.987 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 37.2 t -100.56 40.25 1.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.978 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -144.1 112.93 6.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.916 -179.927 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.94 76.12 0.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.685 179.836 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 70.5 -65.14 0.34 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.98 -179.849 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m -147.66 28.88 0.94 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -141.77 143.89 33.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.828 -179.947 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.707 HD22 ' SG ' ' A' ' 37' ' ' CYS . 0.4 OUTLIER -59.62 113.82 2.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.968 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.8 ' HD3' HG21 ' A' ' 20' ' ' THR . 0.0 OUTLIER -57.92 132.79 83.39 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.762 179.948 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -50.57 140.18 36.8 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.461 2.107 . . . . 0.0 112.42 -179.914 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.17 148.11 23.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.959 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.96 -25.0 27.35 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.462 -179.888 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.8 HG21 ' HD3' ' A' ' 16' ' ' LYS . 70.4 m -69.0 109.39 3.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.841 0.353 . . . . 0.0 110.826 -179.993 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.556 HG23 ' CD1' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -77.51 133.76 38.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.841 -179.944 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 26.3 p -79.93 -41.05 26.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 -179.957 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.73 -69.57 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.967 179.958 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.01 80.61 0.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.876 179.937 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.6 p -105.49 -77.96 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 179.995 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 p -177.49 -39.41 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.932 179.935 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.0 p -90.08 -31.15 5.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.077 179.974 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.6 p -123.22 173.86 7.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 m -163.26 97.66 0.91 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -87.14 76.59 9.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.556 ' CD1' HG23 ' A' ' 21' ' ' THR . 38.6 m-85 -67.07 155.23 39.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.4 m -80.23 144.57 32.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.792 179.948 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.7 p -96.42 11.07 36.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.16 179.955 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.485 ' HA2' HD12 ' A' ' 15' ' ' LEU . . . 47.85 27.48 4.86 Favored Glycine 0 C--N 1.332 0.344 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.848 179.899 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 20.1 mtt-85 -128.81 -45.09 1.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.91 0.386 . . . . 0.0 111.022 -179.907 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.64 ' C ' HD21 ' A' ' 15' ' ' LEU . 37.9 m -115.47 166.01 12.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.83 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.707 ' SG ' HD22 ' A' ' 15' ' ' LEU . 16.3 m -109.0 21.35 17.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.998 179.913 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -127.44 110.59 12.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.723 179.784 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.79 145.44 51.98 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.044 -179.843 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -52.85 174.8 0.1 OUTLIER 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.584 2.189 . . . . 0.0 112.331 179.979 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 92.8 p -106.81 -31.57 8.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.94 179.934 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -99.26 156.43 35.44 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.01 134.38 27.32 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.576 2.184 . . . . 0.0 112.31 -179.986 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.375 -1.236 . . . . 0.0 112.523 179.995 . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 85.8 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.839 0.352 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -71.17 65.88 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.649 179.771 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -48.67 133.63 16.84 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.319 -179.748 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.05 -170.15 43.25 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.386 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.41 ' HB2' ' CB ' ' A' ' 22' ' ' CYS . 41.6 Cg_endo -67.27 -43.14 6.53 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.538 2.159 . . . . 0.0 112.352 179.984 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.6 t -93.21 48.23 1.31 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.831 -179.994 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -144.72 117.53 8.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.734 -179.928 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.8 mmt180 -64.31 -87.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.837 -179.949 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -115.65 -25.93 7.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.803 0.335 . . . . 0.0 110.791 179.755 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 37.7 t -179.79 36.42 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.772 179.993 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -157.05 162.06 39.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.856 0.36 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.616 HD23 ' SG ' ' A' ' 37' ' ' CYS . 6.7 mt -70.5 118.94 13.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.759 179.905 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.5 mttm -53.87 165.48 0.75 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.705 179.957 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -49.9 123.5 10.87 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.465 2.11 . . . . 0.0 112.399 -179.889 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.516 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -49.35 108.48 0.2 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.145 179.945 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.24 26.45 4.6 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.223 -179.667 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.3 m -105.14 115.08 29.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.82 0.343 . . . . 0.0 110.835 -179.881 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 t -59.16 159.51 7.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.967 -179.999 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.41 ' CB ' ' HB2' ' A' ' 8' ' ' PRO . 4.2 p -120.35 -42.31 2.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 179.992 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -130.07 95.96 4.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.963 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -127.4 112.4 14.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.89 -31.86 9.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 m -176.31 -77.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.988 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.1 p -82.53 -32.54 10.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.042 -179.985 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.8 m -74.42 149.23 40.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.6 t -163.76 95.54 0.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.403 ' CG ' ' HA ' ' A' ' 43' ' ' PRO . 11.6 m170 -94.73 79.33 3.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.945 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -65.9 138.01 57.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.991 -179.958 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 14.0 t -80.29 158.98 25.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.83 179.882 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.601 HG23 ' HB2' ' A' ' 35' ' ' ARG . 5.5 t -106.95 14.42 26.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.272 -179.985 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.516 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 52.35 24.55 16.83 Favored Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.791 179.96 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.601 ' HB2' HG23 ' A' ' 33' ' ' THR . 39.3 mtp85 -114.33 -37.82 4.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.886 0.374 . . . . 0.0 110.86 -179.959 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.405 ' CA ' HD22 ' A' ' 15' ' ' LEU . 50.0 m -129.57 160.55 32.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.704 179.894 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.616 ' SG ' HD23 ' A' ' 15' ' ' LEU . 20.4 m -95.58 11.68 32.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.048 179.865 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.7 mp0 -130.23 114.66 15.94 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.657 179.763 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 9.8 m -56.65 136.62 77.79 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.031 -179.819 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.51 177.91 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.411 2.074 . . . . 0.0 112.261 179.993 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.5 m -74.77 -30.85 61.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.917 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 21.1 p90 -96.43 156.86 36.33 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.966 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.403 ' HA ' ' CG ' ' A' ' 30' ' ' HIS . 56.4 Cg_endo -70.52 179.67 3.93 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.546 2.164 . . . . 0.0 112.342 179.983 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.347 -1.252 . . . . 0.0 112.537 -179.963 . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 57.5 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.803 0.335 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.748 HG23 ' SG ' ' A' ' 37' ' ' CYS . 2.2 t -82.05 71.83 9.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.526 179.715 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -45.89 127.34 8.08 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.499 -179.652 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.78 -166.99 31.32 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.308 179.997 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -73.99 -28.49 11.06 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.573 2.182 . . . . 0.0 112.281 179.991 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.95 30.67 4.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 179.879 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.61 111.19 17.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.632 179.978 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.92 -87.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.957 -179.812 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -119.02 -22.65 7.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.725 0.297 . . . . 0.0 111.107 179.977 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 176.2 36.38 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.851 -179.891 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.7 mttm -166.23 150.83 7.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.93 0.395 . . . . 0.0 111.045 -179.913 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.718 HD21 ' C ' ' A' ' 34' ' ' GLY . 16.2 tp -56.71 123.54 15.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.976 179.905 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -62.78 162.01 24.62 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.308 179.435 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -52.46 127.76 25.3 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.396 2.064 . . . . 0.0 112.25 -179.981 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.595 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -50.18 145.59 5.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.069 179.847 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.413 ' O ' ' CD1' ' A' ' 31' ' ' TYR . . . 73.38 14.41 79.37 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.613 -179.834 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 94.3 m -101.12 110.04 22.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.864 0.364 . . . . 0.0 110.801 179.937 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 t -51.9 131.69 31.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.177 179.949 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 28.1 p -100.55 -30.9 11.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 3.9 t90 -93.68 -61.8 1.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.015 0.436 . . . . 0.0 110.864 179.916 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.705 ' O ' HG23 ' A' ' 25' ' ' THR . 23.8 ttm-85 62.39 119.78 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.951 179.958 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.705 HG23 ' O ' ' A' ' 24' ' ' ARG . 0.7 OUTLIER -170.0 178.16 4.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.868 179.967 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 t -98.59 30.26 3.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.949 179.966 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -113.4 -33.12 2.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 -179.941 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.8 t -178.39 -38.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.6 p 62.88 146.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.449 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.6 m-70 -119.87 -169.36 1.76 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.413 ' CD1' ' O ' ' A' ' 19' ' ' GLY . 15.1 m-85 -149.83 148.19 28.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.805 179.913 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.14 132.46 51.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.97 0.414 . . . . 0.0 110.741 179.999 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.549 HG23 ' H ' ' A' ' 35' ' ' ARG . 8.8 t -75.55 -3.36 33.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.225 179.752 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.718 ' C ' HD21 ' A' ' 15' ' ' LEU . . . 56.06 24.31 42.67 Favored Glycine 0 C--N 1.332 0.337 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.565 -179.707 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.549 ' H ' HG23 ' A' ' 33' ' ' THR . 0.7 OUTLIER -126.55 -44.21 1.7 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.872 0.368 . . . . 0.0 111.103 -179.944 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.647 ' C ' HD13 ' A' ' 15' ' ' LEU . 25.0 p -144.71 161.55 38.92 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.795 179.891 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.748 ' SG ' HG23 ' A' ' 5' ' ' THR . 94.7 m -72.3 -22.94 61.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.942 179.99 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -74.34 99.3 3.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.701 179.834 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.3 m -58.69 144.45 80.15 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.001 -179.874 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.444 ' HB2' ' CD2' ' A' ' 42' ' ' TYR . 64.8 Cg_endo -73.71 177.79 7.6 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.61 2.207 . . . . 0.0 112.326 -179.984 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 95.6 p -107.17 31.25 5.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.948 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.444 ' CD2' ' HB2' ' A' ' 40' ' ' PRO . 14.7 m-85 -105.32 149.59 37.91 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.951 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.83 -26.58 27.09 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.55 2.167 . . . . 0.0 112.376 179.963 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.358 -1.245 . . . . 0.0 112.496 179.969 . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.571 ' CB ' ' HA ' ' A' ' 13' ' ' CYS . 1.5 p . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.842 0.353 . . . . 0.0 111.086 . . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.07 95.81 1.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.698 179.877 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.81 105.01 0.08 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.274 -179.858 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.18 -152.62 5.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.444 -179.965 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.33 -37.93 2.97 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.608 2.205 . . . . 0.0 112.356 -179.981 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -84.97 -28.72 25.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.047 -179.912 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.809 ' SG ' HD22 ' A' ' 15' ' ' LEU . 16.0 m -102.78 140.44 37.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.851 179.944 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.1 ttt85 -150.84 -55.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.223 -179.93 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -90.51 12.93 17.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.385 -179.88 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 13' ' ' CYS . . . . . 0.571 ' HA ' ' CB ' ' A' ' 4' ' ' CYS . 7.9 t 79.08 30.23 0.33 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.996 0.427 . . . . 0.0 110.704 -179.578 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.6 mmtt -146.11 106.0 3.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.057 179.564 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.809 HD22 ' SG ' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -40.47 113.31 0.35 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.287 -179.439 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -46.59 164.41 0.22 Allowed Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.199 -179.695 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -60.72 147.28 95.48 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.671 2.247 . . . . 0.0 112.367 -179.942 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.53 167.88 1.81 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.966 179.804 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 59.53 19.26 47.41 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.635 -179.893 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 93.6 m -102.83 103.67 13.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.845 0.355 . . . . 0.0 110.696 179.909 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.0 143.89 41.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.996 -179.912 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 33.6 m -84.44 -58.75 2.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -92.39 -79.01 0.4 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.97 83.76 0.12 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 179.99 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.8 p -115.18 -40.82 3.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.72 -38.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.949 179.966 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.8 t -111.89 -34.36 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.077 -179.986 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.99 146.52 27.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.4 t -165.36 78.27 0.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -102.68 102.47 12.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -76.05 143.65 41.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.3 m -83.59 145.64 28.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.952 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.0 p -103.33 22.71 13.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 179.836 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.04 27.39 22.14 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.69 -179.943 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -119.87 -69.87 0.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.94 0.4 . . . . 0.0 110.99 -179.936 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.725 ' C ' HD21 ' A' ' 15' ' ' LEU . 5.2 t -101.82 146.53 27.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.832 -179.936 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.661 ' N ' HD21 ' A' ' 15' ' ' LEU . 5.2 m -72.89 -17.89 61.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.021 179.947 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -92.54 111.38 22.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.818 0.342 . . . . 0.0 110.938 -179.975 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.6 m -61.61 110.28 2.99 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.808 179.985 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -68.59 176.99 5.16 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.46 2.106 . . . . 0.0 112.286 179.965 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.36 57.22 4.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.88 -179.997 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -116.18 81.54 10.53 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.26 157.59 6.38 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.52 2.147 . . . . 0.0 112.359 179.975 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.371 -1.238 . . . . 0.0 112.529 -179.977 . . . . . . . . 0 0 . 1 . 041 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 82.3 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.687 0.279 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 041 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.3 t 43.3 73.55 0.14 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.408 -179.922 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.7 p -58.47 129.45 42.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.953 -179.948 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.0 177.65 45.19 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.462 179.988 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -79.12 55.53 5.65 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.651 2.234 . . . . 0.0 112.508 -179.901 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -174.35 35.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.013 179.933 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.8 p -171.27 112.03 0.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.911 179.83 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.2 89.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.959 -179.958 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 68.71 -67.82 0.2 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.092 179.983 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 47.1 t -151.31 45.4 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.93 -179.89 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -147.39 119.5 8.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.761 179.87 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 35.7 mt -48.63 108.18 0.17 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.94 179.983 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.49 147.92 7.35 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.866 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -52.31 128.04 26.05 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.687 2.258 . . . . 0.0 112.198 179.955 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.75 116.87 2.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.266 -179.987 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.66 23.87 5.19 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.484 -179.924 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 69.5 m -110.95 123.01 49.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.793 0.33 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.79 154.56 18.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.9 p -123.07 -43.14 2.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.989 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 24.3 t90 -131.14 134.42 46.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.943 179.984 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -175.23 117.1 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 -179.998 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.2 t -106.55 -33.14 7.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.942 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 p -177.72 -39.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.932 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -110.47 -31.61 2.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.099 -179.987 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.9 t -74.6 149.32 40.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.5 t -173.54 103.35 0.12 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -130.61 125.24 33.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.956 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -96.4 137.22 35.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.4 172.13 11.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.947 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.472 HG23 ' HB2' ' A' ' 35' ' ' ARG . 1.9 t -112.73 16.33 19.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.25 -179.977 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 53.57 24.6 25.09 Favored Glycine 0 C--N 1.332 0.325 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.766 179.944 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.472 ' HB2' HG23 ' A' ' 33' ' ' THR . 5.1 mmm180 -111.09 -32.93 6.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.828 0.347 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.4 m -143.7 172.97 12.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.7 t -103.42 16.99 25.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.899 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -123.24 104.2 9.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.868 179.93 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.5 m -59.4 148.18 74.03 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.43 177.54 6.61 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.541 2.16 . . . . 0.0 112.336 -179.993 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.2 m -91.72 -31.6 15.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 28.9 p90 -79.19 154.26 77.17 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.24 153.48 12.87 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.569 2.179 . . . . 0.0 112.281 -179.967 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.389 -1.228 . . . . 0.0 112.465 -179.962 . . . . . . . . 0 0 . 1 . 042 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.2 m . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.674 0.273 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 042 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.451 HG23 ' HB2' ' A' ' 37' ' ' CYS . 3.7 t 43.43 70.79 0.28 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.381 -179.939 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 48.1 p -53.76 113.02 1.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.113 -179.911 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.73 173.23 38.07 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.532 -179.957 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.78 -22.02 27.85 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.616 2.211 . . . . 0.0 112.554 -179.978 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.01 24.56 5.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.257 -179.89 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 81.1 m -137.22 145.89 44.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.814 179.908 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -82.98 -85.47 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.045 -179.884 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -114.31 -25.34 8.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.963 -179.995 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 178.13 38.38 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.973 -179.939 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -157.11 142.8 17.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.943 -179.978 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.795 HD21 ' C ' ' A' ' 36' ' ' SER . 0.3 OUTLIER -58.54 115.25 2.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.809 179.987 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.7 mttt -55.55 159.9 4.39 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.0 -179.959 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -68.43 146.09 67.27 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.533 2.155 . . . . 0.0 112.324 179.995 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.82 146.45 21.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.114 179.927 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.02 -22.72 39.42 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.544 -179.916 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.0 m -67.71 106.82 2.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.854 0.359 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.914 HG23 ' CD2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -68.0 138.46 55.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.811 -179.978 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.1 p -117.45 -40.34 3.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -93.6 85.12 4.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.997 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.1 mtt-85 -117.26 114.46 23.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.965 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.548 ' O ' HG23 ' A' ' 27' ' ' VAL . 18.9 p -136.54 31.92 2.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.979 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.0 m 60.69 31.45 20.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 179.974 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 25' ' ' THR . 21.4 t -140.93 -46.33 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 179.993 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -140.83 -176.24 4.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 m -147.87 121.11 8.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -105.49 82.77 1.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.948 179.981 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.914 ' CD2' HG23 ' A' ' 21' ' ' THR . 22.1 m-85 -60.16 150.52 29.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.999 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -80.1 145.96 32.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.2 p -98.08 13.48 30.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.912 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 48.97 27.21 6.45 Favored Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.765 179.975 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -121.3 -69.22 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.963 0.411 . . . . 0.0 111.111 -179.874 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.795 ' C ' HD21 ' A' ' 15' ' ' LEU . 3.7 m -117.37 150.24 39.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.953 -179.887 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.619 ' N ' HD21 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -72.76 -21.11 61.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.009 179.972 . . . . . . . . 3 3 . 1 . 042 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -65.5 102.32 0.69 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 66.5 m -60.13 149.76 73.63 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 179.96 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.04 177.47 5.73 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.581 2.187 . . . . 0.0 112.312 179.978 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 t -123.89 35.61 4.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -161.92 156.21 18.92 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.999 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.98 127.04 13.86 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.592 2.195 . . . . 0.0 112.261 -179.994 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.487 179.974 . . . . . . . . 0 0 . 1 . 043 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 CA--C 1.53 0.176 0 N-CA-C 111.595 0.22 . . . . 0.0 111.595 . . . . . . . . . 0 0 . 1 . 043 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 53.69 63.93 2.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.922 0.391 . . . . 0.0 110.88 -179.936 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.37 163.93 26.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.012 -179.859 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.16 179.64 24.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.426 -179.902 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -73.68 -26.96 13.2 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.55 2.167 . . . . 0.0 112.465 -179.938 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.0 t -111.8 68.15 0.66 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.001 0.429 . . . . 0.0 111.065 -179.913 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.6 m -135.29 -178.94 5.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.44 ' O ' ' CB ' ' A' ' 12' ' ' GLN . 5.9 ttt85 -129.52 43.32 3.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 179.991 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.44 ' CB ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER 87.0 -34.37 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.409 -179.991 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.1 t -169.13 33.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.761 0.315 . . . . 0.0 110.963 179.976 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.1 ttpt -166.45 146.49 6.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.858 179.95 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.804 HD11 ' C ' ' A' ' 36' ' ' SER . 0.1 OUTLIER -55.54 127.86 31.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.792 179.939 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.53 148.67 17.19 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.964 -179.904 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_exo -51.37 134.52 45.25 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.518 2.146 . . . . 0.0 112.342 -179.951 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.663 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -58.86 116.78 3.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.98 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.12 26.45 7.41 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.493 179.964 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.9 m -122.82 113.52 19.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.853 0.359 . . . . 0.0 110.838 -179.984 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 t -59.76 147.98 35.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 179.937 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 13.1 p -101.51 -32.36 10.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 8.3 t90 -131.12 110.13 10.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 179.973 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.01 141.05 51.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.36 35.04 0.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.972 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.544 ' O ' HG13 ' A' ' 27' ' ' VAL . 1.0 OUTLIER 60.32 34.14 20.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.952 -179.996 . . . . . . . . 3 3 . 1 . 043 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.544 HG13 ' O ' ' A' ' 26' ' ' SER . 5.7 m -159.03 -44.69 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.206 179.998 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.0 p -127.05 120.42 28.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.6 p -131.56 110.35 10.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -107.33 93.86 4.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -61.65 136.82 58.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.86 172.68 9.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 t -110.85 7.68 21.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.243 179.902 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.663 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 55.31 27.71 47.89 Favored Glycine 0 C--N 1.332 0.306 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.61 -179.966 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -124.51 -43.79 2.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.863 0.364 . . . . 0.0 111.038 -179.968 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.804 ' C ' HD11 ' A' ' 15' ' ' LEU . 19.6 m -130.9 148.74 52.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.963 -179.994 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.2 m -71.65 -22.02 61.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 179.92 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -79.85 108.38 13.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.7 m -59.77 147.17 79.33 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.31 177.58 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.565 2.176 . . . . 0.0 112.269 179.983 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.0 p -100.17 -31.29 11.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 54.6 p90 -87.66 160.41 47.45 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.2 -176.9 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.61 2.207 . . . . 0.0 112.309 179.952 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.328 -1.262 . . . . 0.0 112.462 -179.998 . . . . . . . . 0 0 . 1 . 044 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 71.6 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.839 0.352 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 044 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.9 p -70.56 66.07 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.791 179.931 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -58.21 88.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.018 -179.93 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.28 -174.41 20.75 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 -179.977 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.3 -25.65 18.34 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.622 2.215 . . . . 0.0 112.426 -179.945 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 m -98.05 24.57 6.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.162 -179.876 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 33.2 m -145.07 150.02 36.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.785 179.872 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.97 126.52 36.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.027 -179.945 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 68.14 -68.9 0.16 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.11 179.907 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.8 t -175.62 36.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.927 -179.873 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -148.77 131.63 16.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.795 179.994 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.405 HD11 ' HA ' ' A' ' 36' ' ' SER . 0.2 OUTLIER -51.87 119.02 3.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 179.96 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.789 ' HD2' HG21 ' A' ' 20' ' ' THR . 24.7 mtmt -51.05 163.41 0.51 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.038 -179.853 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_endo -62.09 139.83 80.7 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.554 2.169 . . . . 0.0 112.288 179.996 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.79 115.49 3.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.043 179.974 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.01 24.95 5.29 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 -179.982 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.789 HG21 ' HD2' ' A' ' 16' ' ' LYS . 25.4 m -95.83 115.9 28.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.795 0.331 . . . . 0.0 110.827 -179.985 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.701 HG21 ' OG ' ' A' ' 29' ' ' SER . 0.0 OUTLIER -63.85 120.77 12.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 -179.993 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.1 p -113.66 31.21 6.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.973 179.968 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -176.86 85.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -97.17 140.65 31.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.8 p -145.16 -77.71 0.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.2 t -177.1 -39.6 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.929 179.973 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.3 p -99.07 -32.82 3.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.06 180.0 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.26 -169.15 1.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.966 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.701 ' OG ' HG21 ' A' ' 21' ' ' THR . 0.2 OUTLIER -165.42 -43.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.952 179.973 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 59.48 107.64 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.928 179.929 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -98.09 150.84 21.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.6 t -82.72 160.8 22.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.998 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.5 t -101.87 4.55 40.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.355 179.955 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 54.78 24.21 32.48 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.714 -179.947 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 32.6 ttt180 -117.05 -39.48 3.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.84 0.352 . . . . 0.0 110.916 -179.952 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.405 ' HA ' HD11 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -144.0 154.49 43.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.828 179.984 . . . . . . . . 3 3 . 1 . 044 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.56 -24.84 62.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.926 179.983 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -63.02 97.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 60.7 m -57.92 109.71 1.99 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.93 -179.992 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -52.71 177.41 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.399 2.066 . . . . 0.0 112.307 179.955 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.9 p -108.28 39.66 1.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -105.45 87.94 2.4 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -69.35 122.72 9.51 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.529 2.153 . . . . 0.0 112.325 179.968 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.332 -1.26 . . . . 0.0 112.526 -179.98 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.838 0.351 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 5.3 mtt -131.04 -74.46 0.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -61.68 106.01 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m -76.19 -30.97 58.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.71 89.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.781 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.42 152.74 20.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.61 -160.49 28.79 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.498 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.69 -44.24 0.3 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.692 2.261 . . . . 0.0 112.551 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -98.92 63.07 1.35 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.012 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.6 m -139.56 134.94 32.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 47.8 ttt180 -78.35 69.15 4.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.771 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 69.09 -67.54 0.21 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.054 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -136.21 34.79 2.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.876 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.6 mttm -158.62 173.13 17.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.522 HD21 ' HA ' ' A' ' 36' ' ' SER . 6.0 mt -73.69 122.82 22.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.849 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? -60.81 138.89 93.58 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.692 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -62.51 143.78 93.6 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.503 2.135 . . . . 0.0 112.265 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.463 ' HB2' ' C ' ' A' ' 33' ' ' THR . . . -53.7 140.33 29.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.237 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.78 -13.13 29.72 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.675 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.8 m -75.86 117.26 17.41 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.831 0.348 . . . . 0.0 110.913 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.578 HG23 ' CD1' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -61.83 145.01 53.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.922 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.2 p -160.59 30.28 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 24.7 t-105 -177.7 66.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.719 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -124.22 111.32 15.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.3 p -125.73 -167.25 1.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.826 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.68 -30.12 65.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.981 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.571 ' O ' HG12 ' A' ' 27' ' ' VAL . 15.9 t -133.17 31.39 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.083 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.76 154.52 40.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 97.1 p -176.62 89.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.957 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.47 ' O ' HG22 ' A' ' 21' ' ' THR . 2.1 m-70 -116.75 -178.15 3.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.578 ' CD1' HG23 ' A' ' 21' ' ' THR . 32.6 m-85 -143.24 168.96 18.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -86.48 152.67 22.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.463 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 2.4 t -104.85 16.24 26.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.179 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.54 25.66 21.39 Favored Glycine 0 C--N 1.332 0.327 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.701 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.7 ttt180 -112.19 -34.4 5.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.804 0.335 . . . . 0.0 110.926 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.522 ' HA ' HD21 ' A' ' 15' ' ' LEU . 40.5 m -145.82 158.07 43.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.6 m -71.04 -26.91 63.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -77.82 138.13 38.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.958 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.08 136.34 82.16 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.26 161.22 46.8 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.46 2.106 . . . . 0.0 112.29 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.0 t -98.63 35.97 1.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -148.87 150.44 32.75 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.01 164.63 34.08 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.555 2.17 . . . . 0.0 112.306 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.426 -1.208 . . . . 0.0 112.502 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.825 0.345 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -158.78 97.63 1.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 24.5 p-10 -91.25 51.84 2.0 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.826 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.1 m 66.82 9.46 6.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.561 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.657 HG22 ' SG ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER 58.0 89.43 0.05 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.819 0.342 . . . . 0.0 110.846 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.7 p -109.96 148.57 31.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.984 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.17 -166.43 32.08 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.391 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -84.53 43.97 1.42 Allowed 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.791 2.328 . . . . 0.0 112.735 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.403 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 18.4 t -177.07 36.59 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.879 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m -130.24 150.72 51.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.457 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.2 mtp180 -90.77 -90.84 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.956 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -119.69 -22.82 6.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.719 0.295 . . . . 0.0 111.012 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 37.2 t -177.79 36.65 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.759 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -167.06 148.1 5.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.926 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.825 HD11 ' HA ' ' A' ' 36' ' ' SER . 0.2 OUTLIER -57.51 121.66 10.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.874 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.28 150.95 50.67 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -65.38 148.74 88.42 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.592 2.195 . . . . 0.0 112.331 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.35 155.16 2.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.192 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.8 -20.73 47.31 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.537 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.3 m -70.75 112.57 7.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.843 0.354 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.55 HG23 ' CD2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -77.46 135.83 38.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.808 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.9 p -106.16 -31.92 8.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -143.78 103.88 4.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -142.36 137.26 30.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.7 p -137.81 38.54 2.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.525 ' O ' HG13 ' A' ' 27' ' ' VAL . 1.5 m 60.69 36.19 19.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.525 HG13 ' O ' ' A' ' 26' ' ' SER . 6.6 m -158.74 -44.84 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.8 m -133.8 78.99 1.8 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.1 m -71.2 134.53 46.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 20.3 m170 -119.9 80.28 1.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.55 ' CD2' HG23 ' A' ' 21' ' ' THR . 55.7 m-85 -68.68 159.82 31.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.1 m -92.01 143.67 26.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.6 p -96.56 9.96 39.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 50.47 25.95 9.31 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.803 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.1 mtt-85 -115.01 -36.2 4.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.873 0.368 . . . . 0.0 111.03 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.825 ' HA ' HD11 ' A' ' 15' ' ' LEU . 9.9 t -140.59 146.68 38.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.857 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.657 ' SG ' HG22 ' A' ' 5' ' ' THR . 0.5 OUTLIER -72.4 -20.52 61.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.92 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -92.52 116.15 28.74 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.817 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.3 m -59.87 148.74 75.61 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.57 176.02 7.96 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.581 2.188 . . . . 0.0 112.305 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.95 31.51 5.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 28.0 p90 -145.91 156.2 51.58 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.943 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.87 179.53 3.69 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.564 2.176 . . . . 0.0 112.255 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.421 -1.211 . . . . 0.0 112.514 -179.999 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.851 0.358 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 4.1 mtt -134.78 130.16 35.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -102.18 177.64 4.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.4 m -105.03 -33.91 8.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.402 ' CG2' ' CB ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER 60.59 77.46 0.32 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.813 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.9 117.47 6.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.61 -178.84 47.51 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.497 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -69.33 -35.24 14.29 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.633 2.222 . . . . 0.0 112.285 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 25.9 t -66.41 -15.16 63.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.284 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 79.6 m -110.48 145.92 36.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.721 0.296 . . . . 0.0 110.767 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -71.32 -87.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.06 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -117.59 -22.88 7.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.672 0.273 . . . . 0.0 111.112 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 179.75 37.18 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.992 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.09 144.91 8.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.608 HD21 ' C ' ' A' ' 36' ' ' SER . 0.3 OUTLIER -57.93 117.28 4.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.813 ' CE ' HG21 ' A' ' 20' ' ' THR . 12.8 mtpp -57.75 156.97 16.02 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_exo -51.92 144.71 35.1 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.57 2.18 . . . . 0.0 112.355 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.25 111.16 0.99 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.099 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 133.38 -8.12 5.02 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.745 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.813 HG21 ' CE ' ' A' ' 16' ' ' LYS . 32.2 m -70.05 111.1 5.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.858 0.361 . . . . 0.0 110.872 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.717 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -75.58 144.2 41.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.2 m -100.22 -74.64 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 19.7 t90 -109.19 79.53 1.23 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.9 ptt180 -75.98 126.57 31.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.479 HG22 ' H ' ' A' ' 26' ' ' SER . 0.2 OUTLIER -148.54 -176.74 5.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.479 ' H ' HG22 ' A' ' 25' ' ' THR . 36.6 m -85.51 -31.48 22.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -93.46 -32.47 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.179 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.8 t -140.53 160.07 40.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.9 m -170.26 104.56 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.626 ' O ' HG22 ' A' ' 21' ' ' THR . 1.5 m-70 -81.67 -178.93 7.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.717 ' CE2' HG23 ' A' ' 21' ' ' THR . 8.8 m-85 -159.22 161.91 36.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 63.5 m -102.01 122.64 44.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.756 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.7 p -94.67 21.49 7.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.97 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 49.63 26.37 7.59 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.821 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.8 mtt180 -120.63 -41.55 2.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.876 0.369 . . . . 0.0 111.0 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.608 ' C ' HD21 ' A' ' 15' ' ' LEU . 2.4 m -140.03 145.29 37.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.826 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.402 ' CB ' ' CG2' ' A' ' 5' ' ' THR . 0.8 OUTLIER -71.89 -20.5 61.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.965 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -74.4 91.17 2.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.808 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.4 m -55.82 108.96 1.35 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.002 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.402 ' O ' ' CG ' ' A' ' 30' ' ' HIS . 53.4 Cg_exo -52.43 170.87 0.23 Allowed 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.445 2.097 . . . . 0.0 112.295 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.1 t -114.92 69.92 0.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -121.14 87.6 44.22 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.01 116.25 2.67 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.597 2.198 . . . . 0.0 112.293 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.368 -1.24 . . . . 0.0 112.496 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.786 0.327 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.9 mtt -138.62 31.59 2.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.938 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -103.46 164.88 11.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -102.14 -26.46 13.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.805 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 65.97 106.28 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.972 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.15 146.87 29.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.82 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.16 -154.33 25.46 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.631 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -77.45 -45.43 0.16 Allowed 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.716 2.277 . . . . 0.0 112.752 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.7 t -94.8 55.67 1.91 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.968 0.413 . . . . 0.0 111.174 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.1 m -137.62 109.55 7.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.973 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.8 ttt-85 -73.34 98.95 2.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.493 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 70.97 -65.75 0.33 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.597 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -166.14 42.42 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.606 179.668 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -155.76 157.11 35.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.803 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.695 HD21 ' N ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -59.91 119.26 7.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.7 mmtp -59.28 159.12 16.67 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -66.07 144.45 75.82 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.52 2.147 . . . . 0.0 112.335 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.87 157.58 12.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.073 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 65.25 22.75 69.43 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.539 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.9 m -114.8 128.51 56.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.789 0.328 . . . . 0.0 110.829 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.79 144.18 49.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.9 p -125.62 -43.51 1.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 15.7 t90 -114.32 84.7 2.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -65.99 166.17 11.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.477 HG22 ' H ' ' A' ' 26' ' ' SER . 0.2 OUTLIER -160.03 -176.97 5.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.477 ' H ' HG22 ' A' ' 25' ' ' THR . 1.5 m -74.49 -31.42 62.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.562 HG22 ' O ' ' A' ' 27' ' ' VAL . 12.3 p -159.71 49.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.04 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -151.24 -78.11 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.0 m 60.26 110.46 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -87.7 150.63 23.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -108.62 162.68 13.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.93 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 m -111.92 169.39 8.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.48 HG22 ' CZ ' ' A' ' 42' ' ' TYR . 6.5 p -118.77 16.28 13.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.207 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.39 24.94 18.42 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.684 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -116.08 -35.6 4.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.758 0.314 . . . . 0.0 111.06 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.559 ' C ' HD21 ' A' ' 15' ' ' LEU . 1.4 m -139.51 153.48 47.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.044 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.695 ' N ' HD21 ' A' ' 15' ' ' LEU . 1.0 OUTLIER -71.62 -24.22 61.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.967 179.857 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -79.48 156.8 27.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.14 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.5 m -113.39 95.55 36.27 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.623 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -67.96 66.67 0.93 Allowed 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.471 2.114 . . . . 0.0 112.618 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 43.55 30.92 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.674 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.48 ' CZ ' HG22 ' A' ' 33' ' ' THR . 0.1 OUTLIER -59.66 110.63 2.92 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.871 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.53 -176.28 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.403 2.069 . . . . 0.0 112.293 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.407 -1.218 . . . . 0.0 112.506 -179.93 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.298 0 CA-C-O 120.812 0.339 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 5.3 mtp -73.77 152.97 40.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -176.61 -55.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 57.3 m -154.18 110.84 3.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 62.3 p -72.24 105.91 4.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.778 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.85 154.79 18.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.014 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.34 -170.83 24.9 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.489 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.62 -38.45 5.9 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.563 2.175 . . . . 0.0 112.403 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.406 ' CB ' ' HA ' ' A' ' 37' ' ' CYS . 0.9 OUTLIER -89.11 53.69 2.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.041 0.448 . . . . 0.0 110.85 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 179.17 127.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.718 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -61.21 -88.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.035 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -122.9 -19.64 6.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.629 0.252 . . . . 0.0 111.401 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.8 t -177.01 36.0 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.094 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -151.73 124.71 8.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.807 0.336 . . . . 0.0 110.768 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.437 HD21 ' HA ' ' A' ' 36' ' ' SER . 9.3 mt -51.78 110.86 0.51 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.753 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.5 mttt -47.85 147.92 3.08 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.042 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.62 135.02 37.36 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.495 2.13 . . . . 0.0 112.448 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.451 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -57.01 119.28 6.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.99 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.45 17.78 7.44 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.551 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 86.7 m -113.68 113.97 25.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.792 0.329 . . . . 0.0 110.783 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.749 HG22 ' H ' ' A' ' 30' ' ' HIS . 0.0 OUTLIER -61.56 135.74 57.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.829 -179.878 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.5 p -108.83 -40.61 4.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.427 ' CD1' ' HB3' ' A' ' 28' ' ' SER . 16.3 t-105 -112.36 82.49 1.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.844 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -148.63 76.76 1.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.2 t -74.95 -33.06 61.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -177.23 -40.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -111.55 -31.65 2.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.1 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.427 ' HB3' ' CD1' ' A' ' 23' ' ' TRP . 31.5 m -73.58 173.87 9.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.404 ' O ' ' CD2' ' A' ' 30' ' ' HIS . 0.4 OUTLIER -176.62 124.21 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.94 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.749 ' H ' HG22 ' A' ' 21' ' ' THR . 35.6 m-70 -150.49 93.32 1.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.718 ' CD1' HG23 ' A' ' 21' ' ' THR . 4.3 m-85 -65.27 150.12 48.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 9.0 t -86.53 143.4 27.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.7 p -93.69 6.6 47.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.245 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.451 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 46.86 56.48 7.53 Favored Glycine 0 C--N 1.333 0.396 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.855 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 32.0 mtp85 -154.86 -45.82 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.904 0.383 . . . . 0.0 111.192 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.437 ' HA ' HD21 ' A' ' 15' ' ' LEU . 44.1 t -136.98 157.82 45.86 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.058 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.406 ' HA ' ' CB ' ' A' ' 9' ' ' CYS . 51.9 m -71.93 -25.97 62.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -66.29 93.96 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.834 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.91 156.33 26.3 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.95 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -51.96 148.65 22.7 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.63 2.22 . . . . 0.0 112.293 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 79.4 p -83.67 -31.57 26.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 20.9 p90 -104.26 151.04 39.01 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.18 126.93 21.83 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.561 2.174 . . . . 0.0 112.295 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.029 0 CA-C-O 118.443 -1.198 . . . . 0.0 112.51 -179.987 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.804 0.335 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 86.2 mtp -93.31 -41.5 9.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 60.39 162.8 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 65.4 m -63.31 108.78 1.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.7 m -78.33 69.23 4.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.71 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -48.34 116.49 1.58 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.305 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.86 179.33 44.39 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.357 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -69.22 -25.28 31.24 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.587 2.191 . . . . 0.0 112.389 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -100.28 30.19 3.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -127.54 159.52 34.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.754 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.8 mtp85 -120.17 80.54 1.62 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.711 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 70.96 -64.12 0.39 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -154.35 27.87 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.957 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.5 tttt -148.73 139.29 22.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.784 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 mt -54.19 122.43 10.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.8 151.8 30.34 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.866 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo -51.57 134.65 46.87 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.54 2.16 . . . . 0.0 112.397 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.675 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -58.87 116.71 3.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.87 25.65 7.47 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.586 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.4 m -111.33 111.38 22.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 0.0 110.864 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 t -54.58 155.07 4.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.027 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.7 p -107.25 -40.29 5.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.937 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 18.0 t90 -98.78 -74.53 0.58 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 58.26 104.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.76 -36.23 5.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.4 p -178.7 -39.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.899 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.591 HG22 ' O ' ' A' ' 27' ' ' VAL . 13.4 p -153.68 45.19 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.008 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.18 33.71 1.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.92 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.5 m -66.25 85.56 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.44 ' CD2' ' O ' ' A' ' 42' ' ' TYR . 1.8 m-70 -60.18 -33.63 72.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 62.65 136.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.009 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.4 t -78.08 171.91 14.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.5 HG23 ' HB2' ' A' ' 35' ' ' ARG . 1.7 t -113.58 10.6 18.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.298 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.675 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 55.19 25.18 38.84 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.732 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.5 ' HB2' HG23 ' A' ' 33' ' ' THR . 6.3 mtt-85 -109.82 -68.13 0.94 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.988 0.423 . . . . 0.0 110.802 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.7 t -109.46 172.49 6.82 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.756 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 66.7 m -105.67 19.07 21.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.052 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.32 83.59 1.86 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.677 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.0 t -48.76 105.75 0.54 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.224 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.89 177.95 5.15 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.436 2.09 . . . . 0.0 112.288 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.9 m -94.37 45.56 1.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.44 ' O ' ' CD2' ' A' ' 30' ' ' HIS . 3.8 m-85 -83.69 161.14 57.06 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.97 177.46 5.7 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.615 2.21 . . . . 0.0 112.315 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.365 -1.242 . . . . 0.0 112.496 179.952 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.86 0.362 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 8.8 mtt -101.62 -37.36 8.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 60.47 31.57 20.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.941 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.2 m -107.0 -10.81 15.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.319 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.3 t 43.48 88.52 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.904 0.383 . . . . 0.0 111.331 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -79.56 164.58 23.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.007 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.22 176.71 15.28 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.506 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.62 -25.4 20.85 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.581 2.187 . . . . 0.0 112.441 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -94.19 46.24 1.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.992 0.425 . . . . 0.0 110.96 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.2 m -126.19 163.52 22.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.736 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.437 ' O ' ' HB2' ' A' ' 12' ' ' GLN . 0.3 OUTLIER -92.66 -29.99 15.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.993 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.437 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 11.8 tm0? 170.88 -30.21 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.959 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -164.71 31.46 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.798 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.5 mttp -172.36 172.56 4.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.744 HD11 ' O ' ' A' ' 35' ' ' ARG . 0.3 OUTLIER -59.73 139.12 57.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.478 ' CE ' HG21 ' A' ' 20' ' ' THR . 9.0 tttt -83.11 145.81 50.07 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.808 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.55 142.19 49.93 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.504 2.136 . . . . 0.0 112.33 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.52 109.31 0.87 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.077 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.64 23.28 4.77 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.63 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.478 HG21 ' CE ' ' A' ' 16' ' ' LYS . 21.5 m -108.14 115.07 29.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.819 0.342 . . . . 0.0 110.78 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.01 149.33 27.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.964 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 56.3 m -84.38 -45.59 12.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.405 ' CZ3' HG21 ' A' ' 25' ' ' THR . 29.2 t90 -154.53 81.08 1.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -68.88 133.58 48.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.434 HG23 HG22 ' A' ' 27' ' ' VAL . 8.9 t -162.84 33.59 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.6 t 78.17 -56.47 0.48 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.077 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.434 HG22 HG23 ' A' ' 25' ' ' THR . 18.3 m -81.23 -32.16 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.113 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 t -107.56 146.68 31.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.9 m -173.46 79.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 19.8 m80 -106.43 97.58 7.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -73.29 137.3 44.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 94.0 m -71.25 155.63 40.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.7 p -102.78 14.55 31.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.195 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 50.03 26.04 8.3 Favored Glycine 0 C--N 1.333 0.373 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.798 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.744 ' O ' HD11 ' A' ' 15' ' ' LEU . 3.8 tpp85 -118.15 -38.24 3.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.834 0.35 . . . . 0.0 111.049 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.406 ' N ' HD21 ' A' ' 15' ' ' LEU . 2.1 m -141.59 172.59 12.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.829 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -102.56 16.47 26.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.098 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -110.65 107.37 16.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.54 147.88 67.97 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.947 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.48 177.11 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.539 2.159 . . . . 0.0 112.313 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.4 t -102.7 -32.02 10.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 18.4 p90 -98.12 161.1 26.62 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.18 144.21 39.25 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.561 2.174 . . . . 0.0 112.33 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.398 -1.223 . . . . 0.0 112.521 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.841 0.353 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 45.8 ttm 60.51 86.36 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.7 t70 60.34 162.22 0.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -177.17 -39.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.815 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.568 HG22 ' HB2' ' A' ' 37' ' ' CYS . 0.2 OUTLIER 66.09 109.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.87 129.03 56.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.65 -168.89 41.47 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.474 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.43 -26.62 20.13 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.632 2.221 . . . . 0.0 112.39 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 36.9 t -98.74 10.45 41.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.426 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 94.0 m -116.19 143.31 45.67 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.85 0.357 . . . . 0.0 110.897 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.1 ttt85 -95.68 98.74 10.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.806 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 69.18 -68.34 0.19 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -159.44 37.27 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.693 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.5 tttm -152.05 145.6 24.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.752 HD21 ' N ' ' A' ' 36' ' ' SER . 0.2 OUTLIER -57.83 121.69 11.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.3 mttt -57.17 156.28 14.83 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.956 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.53 145.17 75.68 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.578 2.185 . . . . 0.0 112.306 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.27 115.65 5.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.041 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.77 22.2 5.11 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.615 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.441 HG22 ' H ' ' A' ' 21' ' ' THR . 2.1 m -101.16 169.56 8.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.841 0.353 . . . . 0.0 110.77 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.441 ' H ' HG22 ' A' ' 20' ' ' THR . 0.0 OUTLIER -86.58 170.2 12.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.8 t -151.59 -46.95 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.435 ' HB3' ' CD2' ' A' ' 30' ' ' HIS . 0.1 OUTLIER -131.1 92.03 3.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.689 ' O ' HG23 ' A' ' 25' ' ' THR . 34.6 mtp180 -93.88 135.44 35.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.689 HG23 ' O ' ' A' ' 24' ' ' ARG . 0.8 OUTLIER -168.96 -176.83 2.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.6 m -98.26 35.64 1.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -151.99 -45.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.157 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.6 m -131.96 169.45 16.29 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.5 t -151.37 95.58 2.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.435 ' CD2' ' HB3' ' A' ' 23' ' ' TRP . 13.3 m-70 -80.65 138.23 36.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -122.23 147.52 46.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.6 m -92.42 133.66 35.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.0 t -92.02 12.47 21.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.284 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 49.96 26.85 9.05 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.752 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.0 ttt-85 -102.77 -35.63 8.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.358 . . . . 0.0 110.95 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.752 ' N ' HD21 ' A' ' 15' ' ' LEU . 74.6 m -160.82 167.92 25.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.568 ' HB2' HG22 ' A' ' 5' ' ' THR . 0.1 OUTLIER -72.14 -29.5 64.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.28 90.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.961 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.1 t -59.01 109.6 2.01 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.5 170.25 16.7 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.403 2.068 . . . . 0.0 112.326 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.6 t -115.18 70.15 0.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -114.93 86.33 13.25 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.17 112.75 0.94 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.576 2.184 . . . . 0.0 112.335 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.082 0 CA-C-O 118.414 -1.214 . . . . 0.0 112.484 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.839 0.352 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 6.5 mtt -132.56 176.55 8.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -94.14 116.57 29.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m 62.0 116.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.484 HG22 ' HA ' ' A' ' 14' ' ' LYS . 10.2 t -72.76 161.78 30.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.4 p -123.14 155.38 37.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.48 179.81 17.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.53 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -79.8 -15.35 12.08 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.71 2.273 . . . . 0.0 112.999 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.417 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 35.4 t -93.85 18.62 10.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.672 0.272 . . . . 0.0 111.523 -179.593 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.2 p -138.95 166.48 24.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.759 0.314 . . . . 0.0 110.733 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.34 46.33 1.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.054 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.1 mm100 69.12 7.91 6.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.646 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -151.12 -46.57 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.725 0.297 . . . . 0.0 110.935 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.484 ' HA ' HG22 ' A' ' 5' ' ' THR . 1.3 mmmp? -143.21 158.04 43.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.678 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.756 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -44.3 154.67 0.11 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.175 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.7 mttm -89.6 172.15 7.69 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.696 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo -51.01 131.94 36.46 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.481 2.121 . . . . 0.0 112.283 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.37 108.46 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.19 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 136.55 -10.84 4.04 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.732 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.74 174.85 0.42 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.816 0.341 . . . . 0.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.494 HG21 ' HD3' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -110.93 154.28 24.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.96 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.0 t -125.65 89.82 3.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER 62.45 117.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.494 ' HD3' HG21 ' A' ' 21' ' ' THR . 34.9 mtp180 -144.7 93.08 2.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.2 t -94.42 -36.43 11.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.987 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.7 m -178.76 -39.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.923 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.4 p -113.31 -34.48 2.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.16 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -64.77 81.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.7 p -99.81 79.99 2.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.6 m80 -104.78 -178.36 3.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -156.55 165.55 35.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.3 m -103.68 122.46 45.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.613 HG23 ' HG3' ' A' ' 35' ' ' ARG . 1.4 t -73.32 -6.57 46.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.338 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 63.87 19.72 63.56 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.897 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.613 ' HG3' HG23 ' A' ' 33' ' ' THR . 2.3 ppt_? -114.65 -30.99 6.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.785 0.326 . . . . 0.0 110.991 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.717 ' HA ' HD12 ' A' ' 15' ' ' LEU . 1.7 m -155.75 148.17 23.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.592 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.417 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 18.0 t -73.43 -19.66 60.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.185 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -57.88 89.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.842 0.353 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.86 109.45 1.72 Allowed Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.13 174.19 0.1 OUTLIER 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.418 2.078 . . . . 0.0 112.351 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.4 m -94.95 -31.69 13.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -74.41 149.59 86.67 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.1 -27.06 25.31 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.553 2.169 . . . . 0.0 112.332 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.092 0 CA-C-O 118.443 -1.198 . . . . 0.0 112.54 -179.975 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.81 0.338 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.9 tpt -107.86 79.8 1.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.45 140.84 29.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.405 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 0.1 OUTLIER 63.15 122.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.7 p -87.33 173.89 8.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.82 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.67 136.94 36.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.043 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.408 ' HA3' ' HB3' ' A' ' 37' ' ' CYS . . . 149.89 166.17 13.13 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.457 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.53 61.12 6.0 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.611 2.208 . . . . 0.0 112.648 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -179.04 43.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.928 179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -168.14 131.28 1.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.87 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.1 ttt85 -60.23 106.48 0.53 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.417 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 67.72 -73.08 0.09 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.948 0.404 . . . . 0.0 110.136 -179.297 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.405 ' HB2' ' HB3' ' A' ' 4' ' ' CYS . 14.1 p -156.05 29.53 0.35 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.735 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -126.31 127.48 45.62 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.952 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.501 HD21 ' CA ' ' A' ' 36' ' ' SER . 36.3 mt -44.69 116.68 1.11 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.389 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.11 155.89 23.04 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.689 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -58.58 130.38 36.94 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.567 2.178 . . . . 0.0 112.257 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.1 113.01 0.89 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.7 26.74 4.06 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.441 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.2 m -125.66 119.1 27.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.803 0.335 . . . . 0.0 110.766 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.816 HG23 ' O ' ' A' ' 30' ' ' HIS . 0.2 OUTLIER -58.68 156.42 10.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.991 -179.871 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.9 p -103.81 -43.96 5.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.954 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -94.63 -43.3 8.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? 57.45 79.82 0.18 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.962 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.46 HG22 ' H ' ' A' ' 26' ' ' SER . 0.2 OUTLIER -135.6 -173.54 3.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.46 ' H ' HG22 ' A' ' 25' ' ' THR . 32.8 m -79.35 -31.33 42.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -102.09 -30.63 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.11 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -93.93 106.04 18.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.7 m -116.73 31.54 6.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.816 ' O ' HG23 ' A' ' 21' ' ' THR . 22.2 m80 -60.9 -172.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.406 ' CD1' ' O ' ' A' ' 30' ' ' HIS . 27.2 m-85 -164.73 154.95 14.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.47 132.03 35.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.753 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.9 p -94.57 17.31 13.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 48.54 27.22 5.78 Favored Glycine 0 C--N 1.332 0.347 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.805 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -120.94 -41.67 2.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.887 0.375 . . . . 0.0 111.015 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.501 ' CA ' HD21 ' A' ' 15' ' ' LEU . 3.1 m -140.69 148.35 40.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.868 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.408 ' HB3' ' HA3' ' A' ' 7' ' ' GLY . 84.1 m -72.48 -20.94 61.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.001 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -72.95 101.63 3.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.77 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.45 146.51 63.53 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -53.11 177.64 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.487 2.125 . . . . 0.0 112.274 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.2 p -124.33 31.61 5.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.837 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -121.79 88.05 46.92 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo -51.79 106.04 0.13 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.559 2.173 . . . . 0.0 112.315 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.553 179.963 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.847 0.356 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 16.1 mtt -102.41 -35.33 8.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.24 172.12 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.3 m -102.56 112.57 25.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 66.6 p -62.21 167.76 3.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.964 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.1 p -155.85 114.59 3.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.23 -166.3 39.41 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.565 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -78.07 -38.04 0.7 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.696 2.264 . . . . 0.0 112.732 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.81 -37.75 73.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.018 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 15' ' ' LEU . 30.7 p -99.06 152.14 20.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.708 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 mtt-85 -69.62 -88.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.936 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -133.36 -19.97 2.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.248 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.0 m -135.13 -27.93 1.2 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -179.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.46 164.23 30.89 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.02 0.438 . . . . 0.0 111.387 -179.497 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.697 HD22 ' C ' ' A' ' 35' ' ' ARG . 3.4 pp -54.55 144.11 22.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.841 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.891 ' HD2' HG21 ' A' ' 20' ' ' THR . 21.9 mttt -80.25 160.46 67.95 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.62 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_exo -51.32 136.47 47.06 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.535 2.157 . . . . 0.0 112.267 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.61 111.93 0.62 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.189 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.46 -8.22 4.65 Favored Glycine 0 CA--C 1.52 0.354 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.691 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.891 HG21 ' HD2' ' A' ' 16' ' ' LYS . 2.5 m -74.4 115.92 14.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.824 0.345 . . . . 0.0 110.706 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.408 HG23 ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -66.57 153.27 43.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.063 -179.793 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -92.31 -67.97 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.919 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.401 ' CE2' ' OG1' ' A' ' 25' ' ' THR . 18.4 t90 -96.4 -70.17 0.73 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 60.7 95.33 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.401 ' OG1' ' CE2' ' A' ' 23' ' ' TRP . 0.2 OUTLIER -107.0 -32.81 7.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -174.55 -77.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -93.73 -31.14 4.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.091 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -87.9 127.5 35.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.2 m -134.91 130.3 35.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 26.3 m80 -105.35 78.39 1.37 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.408 ' CD1' HG23 ' A' ' 21' ' ' THR . 64.6 m-85 -63.78 141.28 58.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 11.8 t -86.92 133.6 33.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.812 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.0 t -76.59 -4.95 45.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.411 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.572 ' C ' HD13 ' A' ' 15' ' ' LEU . . . 63.38 28.29 72.1 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.361 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.697 ' C ' HD22 ' A' ' 15' ' ' LEU . 44.0 ttt-85 -105.38 -30.23 9.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.748 0.309 . . . . 0.0 110.927 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.1 p -166.68 163.91 16.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.939 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 18.3 t -72.38 -24.06 61.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.008 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.45 85.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.846 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.55 109.03 1.41 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.67 177.46 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.445 2.097 . . . . 0.0 112.322 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 m -118.03 36.79 4.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -114.49 87.56 14.26 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.18 124.72 15.51 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.572 2.181 . . . . 0.0 112.272 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.081 0 CA-C-O 118.398 -1.223 . . . . 0.0 112.506 179.95 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.809 0.338 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 4.3 tpt -172.03 154.93 3.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.7 t70 60.53 32.74 20.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.33 -28.7 16.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.67 HG22 ' SG ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER 61.01 105.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.866 179.913 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.585 HG22 ' C ' ' A' ' 12' ' ' GLN . 18.8 p -125.56 135.57 52.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.0 -162.13 26.91 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.579 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.0 -61.45 0.43 Allowed 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.642 2.228 . . . . 0.0 112.385 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.5 m -90.72 51.29 1.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.024 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -146.62 153.65 40.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.685 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 -95.71 33.99 1.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.585 ' C ' HG22 ' A' ' 6' ' ' THR . 2.0 tp60 69.32 9.82 7.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.414 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -179.38 -32.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.422 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.32 138.58 54.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.801 0.334 . . . . 0.0 110.891 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.528 HD22 ' C ' ' A' ' 35' ' ' ARG . 33.6 mt -50.78 126.07 14.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.697 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.4 ' HD3' HG21 ' A' ' 20' ' ' THR . 0.0 OUTLIER -52.48 154.52 4.42 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.799 -179.861 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -55.83 121.33 9.77 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.547 2.165 . . . . 0.0 112.239 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.47 119.86 2.6 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.307 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.403 ' O ' ' CD2' ' A' ' 31' ' ' TYR . . . 107.59 23.43 6.88 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.264 -179.651 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.4 HG21 ' HD3' ' A' ' 16' ' ' LYS . 86.8 m -106.45 113.72 27.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.828 0.346 . . . . 0.0 110.777 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 t -53.28 155.84 2.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.8 t -105.54 -38.27 6.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 21.0 t90 -141.4 90.22 2.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -113.97 158.61 20.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -161.74 -44.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -177.66 -39.42 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.969 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.2 p -111.25 -32.76 2.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.53 153.0 27.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.1 p -176.52 109.22 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 29.0 m-70 -130.45 81.17 1.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 19' ' ' GLY . 27.4 m-85 -59.21 116.67 4.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.2 m -66.82 173.49 3.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.0 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.95 7.36 29.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.337 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 56.95 28.18 57.65 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.581 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.528 ' C ' HD22 ' A' ' 15' ' ' LEU . 1.6 mmt85 -103.88 -32.82 9.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.774 0.321 . . . . 0.0 110.889 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.429 ' CA ' HD22 ' A' ' 15' ' ' LEU . 8.3 m -143.95 165.76 26.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.958 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.67 ' SG ' HG22 ' A' ' 5' ' ' THR . 52.1 m -71.07 -30.52 66.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.79 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -67.25 172.37 4.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.8 p -144.86 90.14 6.39 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -68.76 177.68 4.66 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.549 2.166 . . . . 0.0 112.261 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.1 m -85.01 57.23 4.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -110.22 87.28 5.94 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.62 151.8 69.9 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.565 2.177 . . . . 0.0 112.354 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.407 -1.218 . . . . 0.0 112.542 179.985 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.838 0.351 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.3 mtm -143.43 -177.39 5.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.39 -78.49 0.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -114.51 -27.26 7.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.1 t 43.52 93.22 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.511 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.83 HG22 ' O ' ' A' ' 12' ' ' GLN . 16.2 p -106.72 141.91 37.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.64 -176.78 39.7 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -55.0 -34.96 88.82 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.655 2.236 . . . . 0.0 112.431 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.4 ' HB2' ' HA ' ' A' ' 37' ' ' CYS . 1.2 m -91.24 11.5 23.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.39 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 55.9 m -132.41 136.77 47.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.841 0.353 . . . . 0.0 110.931 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 68.6 mtt-85 -59.24 -37.09 76.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.013 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.83 ' O ' HG22 ' A' ' 6' ' ' THR . 0.4 OUTLIER 166.12 -29.26 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.317 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -152.39 26.93 0.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.055 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.6 tptt -171.41 146.11 2.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.815 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.57 HD22 ' C ' ' A' ' 35' ' ' ARG . 8.1 mt -56.39 122.19 11.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -54.92 158.09 4.98 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.837 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_exo -51.28 122.57 10.33 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.52 2.147 . . . . 0.0 112.338 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -48.81 111.87 0.53 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.263 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.8 21.09 6.16 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.464 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.5 m -104.21 121.73 43.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.809 0.337 . . . . 0.0 110.742 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 t -54.56 123.99 14.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.104 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.8 p -107.42 -31.29 8.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.473 ' CZ3' HG21 ' A' ' 25' ' ' THR . 0.2 OUTLIER -102.71 68.09 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.808 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.8 103.71 0.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.948 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.473 HG21 ' CZ3' ' A' ' 23' ' ' TRP . 20.2 p -102.73 -15.31 16.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.214 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.9 t 65.44 43.51 3.41 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.914 0.388 . . . . 0.0 110.741 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.1 p -178.82 -37.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.189 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.49 -36.91 7.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.944 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.9 m 59.81 109.36 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.951 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.433 ' CG ' ' HB3' ' A' ' 23' ' ' TRP . 5.7 m170 -93.52 -177.03 4.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -154.64 116.33 4.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 9.7 t -75.6 160.56 29.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 t -99.21 4.24 46.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.433 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.36 25.99 20.99 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.707 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.57 ' C ' HD22 ' A' ' 15' ' ' LEU . 6.1 ttm180 -116.15 -38.77 3.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.86 0.362 . . . . 0.0 110.967 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.418 ' N ' HD22 ' A' ' 15' ' ' LEU . 25.0 t -138.99 152.39 47.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.961 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.4 ' HA ' ' HB2' ' A' ' 9' ' ' CYS . 0.1 OUTLIER -73.08 -22.27 60.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.082 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -62.23 86.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.8 t -55.78 108.77 1.29 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.17 177.52 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.417 2.078 . . . . 0.0 112.339 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.7 m -128.97 41.87 3.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -113.81 88.87 14.82 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.918 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -51.62 164.25 0.99 Allowed 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.573 2.182 . . . . 0.0 112.347 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.385 -1.23 . . . . 0.0 112.509 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.85 0.357 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.9 tpp -145.67 -59.55 0.33 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -106.03 35.24 2.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.949 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 65.0 m -60.9 110.47 1.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.7 m -77.11 63.6 2.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.667 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -49.28 104.81 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.22 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.43 171.76 35.29 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.373 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_exo -51.76 -24.63 18.61 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.592 2.195 . . . . 0.0 112.401 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -109.9 25.56 11.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.105 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -136.72 98.14 3.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.922 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -110.83 129.54 55.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.771 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 64.62 14.25 8.87 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.317 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.1 t 73.92 43.49 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.869 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.8 mmtt -139.68 110.66 6.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.392 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.756 HD11 ' C ' ' A' ' 35' ' ' ARG . 1.3 tt -45.85 105.45 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.025 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.5 mmtm -47.15 150.26 1.49 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.213 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.1 141.4 58.0 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.556 2.171 . . . . 0.0 112.433 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.666 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -60.27 148.78 35.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.401 ' O ' ' CD2' ' A' ' 31' ' ' TYR . . . 75.92 8.63 84.94 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.783 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.3 m -107.8 113.05 26.02 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.851 0.357 . . . . 0.0 110.805 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.3 t -57.04 152.43 13.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.032 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.1 p -99.06 -37.41 9.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 24.5 t90 -128.83 104.42 7.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -115.74 166.89 11.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.744 HG23 HG12 ' A' ' 27' ' ' VAL . 4.2 t -172.25 36.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m 60.77 36.79 19.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.744 HG12 HG23 ' A' ' 25' ' ' THR . 12.3 p -178.32 -38.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 35.8 m -101.06 140.47 35.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.1 m -165.31 122.03 1.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -104.24 -32.33 9.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.401 ' CD2' ' O ' ' A' ' 19' ' ' GLY . 10.4 m-85 62.42 126.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.64 172.73 12.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.773 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.4 p -121.23 19.26 11.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.069 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.666 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 49.74 26.12 7.64 Favored Glycine 0 C--N 1.332 0.312 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.781 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.756 ' C ' HD11 ' A' ' 15' ' ' LEU . 12.8 ttm180 -118.64 -38.29 3.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.842 0.353 . . . . 0.0 111.01 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.473 ' N ' HD11 ' A' ' 15' ' ' LEU . 1.9 m -141.29 173.17 11.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 66.1 m -107.51 20.12 19.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.038 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -115.71 94.76 4.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.801 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.6 m -54.18 108.34 1.11 Allowed Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.056 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -52.09 177.62 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.469 2.112 . . . . 0.0 112.299 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.0 m -96.96 39.77 1.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -105.85 87.42 2.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.75 113.41 3.36 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.551 2.167 . . . . 0.0 112.328 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.088 0 CA-C-O 118.385 -1.231 . . . . 0.0 112.544 179.968 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.818 0.342 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -143.19 -49.58 0.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 60.52 -174.66 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.404 ' CB ' ' HA ' ' A' ' 13' ' ' CYS . 1.9 m 61.85 115.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 51.8 p -56.83 173.06 0.22 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.978 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.4 p -155.06 126.07 7.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.936 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.61 -176.16 27.54 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.518 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -73.78 -29.5 10.42 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.598 2.199 . . . . 0.0 112.536 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 35.2 t -93.87 46.64 1.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.966 0.412 . . . . 0.0 110.98 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.6 p -178.72 159.34 1.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.52 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -92.58 35.1 1.03 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.117 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 63.2 12.61 6.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.449 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.404 ' HA ' ' CB ' ' A' ' 4' ' ' CYS . 1.3 m -159.16 -38.54 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.625 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.5 mmmt -130.41 128.31 41.1 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.762 0.315 . . . . 0.0 110.762 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.916 HD11 ' HA ' ' A' ' 36' ' ' SER . 0.0 OUTLIER -45.95 129.75 9.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.618 179.851 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.669 ' HD3' HG21 ' A' ' 20' ' ' THR . 28.8 mttt -56.65 166.32 1.34 Allowed Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.686 -179.542 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -64.91 128.25 20.38 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.397 2.064 . . . . 0.0 112.315 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.717 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -53.69 101.48 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.072 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.48 -16.17 2.26 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.562 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.669 HG21 ' HD3' ' A' ' 16' ' ' LYS . 0.3 OUTLIER -57.31 174.61 0.19 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.798 0.332 . . . . 0.0 110.748 179.911 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.482 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -118.55 146.52 44.51 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.2 t -104.01 -64.2 1.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -127.15 145.38 50.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.9 101.84 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.7 p -112.12 -35.14 5.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.4 p -178.3 -39.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.934 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.4 p -109.2 -32.84 2.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.166 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.5 m -85.81 157.69 20.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.31 78.5 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 15.1 m170 -89.65 143.44 26.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.482 ' CE2' HG23 ' A' ' 21' ' ' THR . 35.7 m-85 -119.32 162.92 17.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.951 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.2 m -92.36 122.92 35.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.761 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.8 t -81.84 2.77 28.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.219 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.717 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 54.85 22.36 26.53 Favored Glycine 0 C--N 1.332 0.35 0 C-N-CA 120.594 -0.813 . . . . 0.0 112.674 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.7 mtt85 -115.16 -35.62 4.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.831 0.348 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.916 ' HA ' HD11 ' A' ' 15' ' ' LEU . 7.6 m -150.04 141.13 23.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.615 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 48.1 t -70.7 -20.01 62.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.826 0.346 . . . . 0.0 110.832 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.11 98.86 0.82 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.751 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 36.0 m -54.53 108.19 1.08 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.063 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.419 ' HB2' ' CD1' ' A' ' 42' ' ' TYR . 53.3 Cg_endo -69.37 177.32 5.43 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.447 2.098 . . . . 0.0 112.329 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.8 m -102.62 37.4 1.93 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.419 ' CD1' ' HB2' ' A' ' 40' ' ' PRO . 45.0 m-85 -114.42 87.51 14.0 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.07 148.72 23.17 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.59 2.193 . . . . 0.0 112.306 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.082 0 CA-C-O 118.356 -1.247 . . . . 0.0 112.476 -180.0 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.41 ' N ' HG23 ' A' ' 5' ' ' THR . . . . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.781 0.324 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.6 ttt -67.1 -65.47 0.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -105.15 32.65 4.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 56.6 m 60.54 111.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.41 HG23 ' N ' ' A' ' 1' ' ' ALA . 18.9 p -66.91 99.72 0.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.83 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 71.5 p -71.55 130.14 40.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.026 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.99 164.28 12.61 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.489 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.57 -40.69 5.3 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.53 2.153 . . . . 0.0 112.346 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -58.81 -26.44 64.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.007 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 61.2 m -92.07 166.86 12.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.984 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.84 45.04 1.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.63 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 75.98 3.54 3.75 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.624 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 50.2 t -177.79 -38.07 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.606 0.241 . . . . 0.0 111.549 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.2 ttmt -122.72 137.35 54.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.881 0.372 . . . . 0.0 111.08 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.588 HD22 ' N ' ' A' ' 36' ' ' SER . 5.3 mt -48.07 123.87 6.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.056 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.8 mttm -59.07 157.44 21.54 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.747 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_exo -51.22 123.41 11.91 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.523 2.148 . . . . 0.0 112.309 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.2 111.63 0.43 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.278 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.27 17.85 6.51 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.559 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.9 m -114.57 114.39 25.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.754 0.311 . . . . 0.0 110.761 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.3 t -55.13 128.96 36.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 21.3 p -76.65 -34.62 58.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.929 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 24.4 t90 -131.51 107.2 8.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.437 ' O ' HG23 ' A' ' 25' ' ' THR . 22.0 ptt-85 -104.25 152.86 21.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.437 HG23 ' O ' ' A' ' 24' ' ' ARG . 21.5 p -157.38 -77.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.93 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.3 p -176.95 -39.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.906 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.9 m -129.51 31.02 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.132 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.1 t -171.65 123.07 0.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.9 m -161.89 161.8 28.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 25.0 m-70 -149.65 107.99 3.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -59.55 135.23 57.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 9.0 t -82.52 141.63 32.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.846 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 73.8 p -86.2 0.87 52.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.344 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.39 23.9 14.85 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.841 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.503 ' HA ' HD13 ' A' ' 15' ' ' LEU . 5.4 ptt85 -120.93 -31.61 4.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.646 0.26 . . . . 0.0 111.226 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.588 ' N ' HD22 ' A' ' 15' ' ' LEU . 14.2 t -140.97 149.69 42.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.779 0.323 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.2 -23.02 61.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.14 86.44 1.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.883 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.5 t -57.71 109.69 1.96 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.54 171.18 0.22 Allowed 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.389 2.06 . . . . 0.0 112.289 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.1 t -107.73 34.19 3.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -105.98 87.28 2.33 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.01 177.09 6.11 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.573 2.182 . . . . 0.0 112.311 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.417 -1.213 . . . . 0.0 112.462 -179.959 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.79 0.328 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -132.01 80.02 1.89 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -166.65 130.51 2.0 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.3 m -107.42 -31.09 8.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.943 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.9 p 58.08 109.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.0 p -98.94 151.73 20.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.03 -176.17 32.8 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.499 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.77 -28.25 20.66 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.601 2.2 . . . . 0.0 112.349 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -94.88 45.67 1.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.4 p -177.96 119.79 0.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.757 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.32 -91.5 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.164 -179.636 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -119.56 -20.89 7.58 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.549 0.214 . . . . 0.0 111.255 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.1 t -176.92 37.04 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.73 0.3 . . . . 0.0 110.992 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -153.93 136.65 15.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.81 0.338 . . . . 0.0 110.871 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.514 HD22 ' C ' ' A' ' 35' ' ' ARG . 68.4 mt -54.37 121.38 8.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.763 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.5 mttt -49.63 165.99 0.27 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.074 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.56 117.15 4.5 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.541 2.161 . . . . 0.0 112.29 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.17 122.29 15.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.065 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.8 28.9 4.03 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.481 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.482 HG22 ' HB3' ' A' ' 32' ' ' CYS . 13.3 t -121.45 175.0 6.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.884 0.373 . . . . 0.0 110.854 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.649 HG21 ' CG ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -93.99 141.94 27.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.877 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 52.9 t -96.1 -70.74 0.7 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 25.0 t90 -126.71 89.83 3.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.649 ' CG ' HG21 ' A' ' 21' ' ' THR . 4.6 mtt180 -78.99 118.38 20.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -111.57 -76.41 0.6 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.9 m -177.55 -39.55 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.3 p -112.32 -32.33 2.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.177 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.404 ' OG ' ' CD2' ' A' ' 30' ' ' HIS . 19.4 t -79.68 -78.64 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.9 m 60.23 101.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.404 ' CD2' ' OG ' ' A' ' 28' ' ' SER . 35.7 m170 -104.18 -177.77 3.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -146.54 161.2 40.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.482 ' HB3' HG22 ' A' ' 20' ' ' THR . 12.2 t -107.22 127.17 53.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.3 t -86.75 5.7 35.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.313 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 53.13 35.98 50.83 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.634 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.514 ' C ' HD22 ' A' ' 15' ' ' LEU . 1.6 tmm_? -115.03 -37.89 4.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.837 0.351 . . . . 0.0 111.031 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.8 166.52 31.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.924 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 84.6 m -71.34 -30.27 65.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -63.18 103.23 0.46 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.6 m -68.41 155.03 93.48 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.78 160.75 48.56 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.531 2.154 . . . . 0.0 112.325 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.3 m -131.12 33.09 4.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 26.2 p90 -137.85 154.87 74.9 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.11 108.59 2.18 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.592 2.194 . . . . 0.0 112.284 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.334 -1.259 . . . . 0.0 112.508 179.993 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.861 0.363 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 5.0 mtt -88.46 -52.28 5.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -76.51 119.37 20.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 23.7 m -148.3 112.08 5.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -62.63 141.2 58.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.747 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 30.3 p -128.26 123.99 35.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.964 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.21 -169.49 41.96 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.52 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -78.43 -33.2 1.93 Allowed 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.73 2.287 . . . . 0.0 112.606 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -74.89 -26.91 59.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.128 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 26.2 p -112.5 134.45 54.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.748 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.4 mtm180 -59.34 -94.78 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.093 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -120.22 -22.0 6.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.666 0.269 . . . . 0.0 111.128 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 33.9 t -176.82 35.62 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.8 0.333 . . . . 0.0 111.051 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.6 tttp -163.35 126.19 2.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.761 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.745 HD11 ' O ' ' A' ' 36' ' ' SER . 0.4 OUTLIER -49.78 115.18 1.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.814 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.9 mttt -49.23 156.44 1.02 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.031 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -51.95 134.42 48.82 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.504 2.136 . . . . 0.0 112.41 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.58 132.84 54.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.033 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.59 21.52 56.01 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.536 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 87.2 m -110.4 117.74 34.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 0.0 110.735 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -58.4 127.2 30.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.1 p -89.47 -40.63 12.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 35.5 t90 -134.42 140.06 46.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -149.55 146.92 27.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.4 m -160.56 38.37 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.3 m 60.84 29.93 19.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.438 HG13 ' N ' ' A' ' 28' ' ' SER . 11.3 p -125.68 -42.54 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.145 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.438 ' N ' HG13 ' A' ' 27' ' ' VAL . 1.7 m -163.3 -176.47 4.8 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.914 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.8 m -133.5 118.31 18.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -105.36 85.33 2.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -73.75 134.8 43.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.7 t -78.51 140.45 38.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.6 p -91.76 9.95 30.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.3 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.462 ' HA2' HD12 ' A' ' 15' ' ' LEU . . . 50.65 26.13 10.05 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.676 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.5 ttt-85 -116.5 -36.22 4.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.809 0.338 . . . . 0.0 111.102 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.745 ' O ' HD11 ' A' ' 15' ' ' LEU . 1.9 m -144.62 150.18 36.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.945 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 43.7 t -73.26 -19.3 61.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.063 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -74.32 85.99 1.96 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.867 0.365 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -57.67 109.62 1.91 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.959 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.95 177.38 0.06 OUTLIER 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.431 2.087 . . . . 0.0 112.255 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.4 m -111.76 31.71 5.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -68.92 149.57 97.83 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.27 155.64 63.78 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.53 2.153 . . . . 0.0 112.315 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.421 -1.21 . . . . 0.0 112.467 -179.999 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.825 0.345 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.74 162.56 32.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -148.28 167.97 23.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m -88.97 116.16 27.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.44 112.76 6.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.2 p -83.06 128.85 34.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.13 175.81 34.52 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.527 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -42.55 3.34 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.599 2.2 . . . . 0.0 112.253 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.65 -26.85 64.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.999 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 54.7 m -93.12 166.11 12.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.8 ttt180 -92.93 48.12 1.33 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 72.11 8.06 5.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.492 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -160.15 -59.62 0.06 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.774 0.321 . . . . 0.0 111.067 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.52 157.53 31.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.007 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.439 HD23 ' H ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -55.61 131.24 45.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.927 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.2 mtmp? -66.82 166.03 21.84 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.944 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.2 142.45 67.33 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.61 2.207 . . . . 0.0 112.293 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.02 108.05 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.056 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.01 25.74 3.77 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.559 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 67.8 m -117.08 118.8 33.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.86 0.362 . . . . 0.0 110.826 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.2 t -62.48 128.5 36.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.984 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 29.4 p -85.72 -31.23 22.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.431 ' CE3' ' HA ' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -115.78 87.95 2.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.799 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -111.49 84.52 1.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.745 HG23 HG12 ' A' ' 27' ' ' VAL . 4.2 t -120.88 35.26 4.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m 60.85 38.97 17.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.745 HG12 HG23 ' A' ' 25' ' ' THR . 12.2 p -178.55 -38.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.162 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.5 m -86.85 147.84 25.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.944 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.1 m -161.08 101.45 1.25 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -110.17 -30.23 7.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.004 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 62.4 116.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.865 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.9 t -85.44 134.55 34.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.823 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.1 p -91.84 12.53 21.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.187 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.79 46.05 24.94 Favored Glycine 0 C--N 1.332 0.345 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.796 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -139.86 -46.42 0.44 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.878 0.37 . . . . 0.0 111.063 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 m -127.35 148.53 50.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.988 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.91 -19.01 60.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.151 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -81.1 95.58 6.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.791 0.329 . . . . 0.0 110.921 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.18 146.23 83.8 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.832 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.81 128.66 15.36 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.493 2.129 . . . . 0.0 112.302 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.6 p -63.13 -32.11 73.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -82.25 149.82 62.86 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.97 129.31 17.15 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.597 2.198 . . . . 0.0 112.264 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.384 -1.231 . . . . 0.0 112.536 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.786 0.327 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 4.8 ttm -89.59 -31.6 17.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 60.71 111.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.4 m -132.59 108.61 9.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.8 m -67.11 76.18 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.804 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 36.4 p -52.59 114.59 1.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.38 169.69 40.62 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.53 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.39 -31.18 56.27 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.596 2.198 . . . . 0.0 112.492 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.8 t -97.57 29.78 3.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.001 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.09 109.05 10.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.621 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.436 ' O ' ' HB2' ' A' ' 12' ' ' GLN . 8.0 ttp180 -52.97 -30.15 33.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.242 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.436 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 1.3 tm0? 170.28 -31.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.869 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.6 t -175.52 33.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.986 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -156.93 110.2 2.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.495 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.852 HD11 ' HA ' ' A' ' 36' ' ' SER . 0.3 OUTLIER -45.34 107.91 0.11 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.945 -179.82 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.2 mtmm -46.36 155.84 0.53 Allowed Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.231 -179.518 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo -51.88 136.59 51.8 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.582 2.188 . . . . 0.0 112.434 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.644 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -60.05 108.97 0.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.46 26.61 3.9 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.447 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 79.3 m -117.4 131.21 56.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.811 0.338 . . . . 0.0 110.761 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.428 HG21 ' HG3' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -60.05 147.01 40.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.903 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.2 p -97.62 -30.95 12.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 20.1 t90 -130.63 -73.96 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.428 ' HG3' HG21 ' A' ' 21' ' ' THR . 1.1 ttp85 58.07 87.7 0.07 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.905 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.7 t -83.49 -39.48 20.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.7 -39.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.867 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.0 t -120.23 -40.19 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.151 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.91 86.74 6.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.899 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.8 m -97.01 79.19 2.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -73.09 98.95 2.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.961 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -74.62 159.19 32.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.9 m -98.72 154.59 17.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.9 t -108.17 13.89 25.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.644 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 49.46 26.69 7.42 Favored Glycine 0 C--N 1.333 0.364 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.724 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -105.27 -31.18 9.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 0.0 110.98 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.852 ' HA ' HD11 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -150.47 172.23 15.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 m -95.24 10.31 36.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.184 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -117.18 115.19 24.85 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.81 0.338 . . . . 0.0 110.811 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.81 147.08 73.49 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.966 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.37 177.68 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.549 2.166 . . . . 0.0 112.28 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.1 m -106.57 31.46 5.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -161.45 157.27 21.35 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.58 165.61 30.17 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.592 2.194 . . . . 0.0 112.261 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.363 -1.243 . . . . 0.0 112.48 179.993 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.768 0.318 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.5 166.2 23.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -136.0 79.92 1.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.3 m -104.39 -28.23 11.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.961 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 62.47 63.39 1.03 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.987 0.422 . . . . 0.0 110.768 -179.947 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.78 138.38 58.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.948 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.92 -170.25 42.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -69.4 -28.25 27.19 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.621 2.214 . . . . 0.0 112.304 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 46.7 m -98.52 33.73 2.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -148.75 164.31 34.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.862 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -178.09 128.04 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.748 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 63.17 15.65 8.73 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.218 -179.866 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.7 t 76.95 39.22 0.22 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.79 -179.71 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.59 122.44 11.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.559 179.86 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -47.73 114.92 0.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.082 -179.837 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.473 ' HD3' HG21 ' A' ' 20' ' ' THR . 46.9 mttt -53.62 164.59 0.84 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.942 -179.876 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -64.97 139.19 60.52 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.539 2.159 . . . . 0.0 112.365 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.535 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -58.5 122.58 13.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.915 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.32 22.61 8.54 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.519 -179.928 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.473 HG21 ' HD3' ' A' ' 16' ' ' LYS . 76.2 m -91.11 120.28 31.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.827 0.346 . . . . 0.0 110.807 179.914 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.563 HG22 ' O ' ' A' ' 30' ' ' HIS . 0.0 OUTLIER -66.23 135.05 53.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.918 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 28.2 p -107.01 -31.92 8.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -153.28 78.37 1.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.446 ' HB2' HG21 ' A' ' 21' ' ' THR . 1.7 tmt_? -93.01 145.98 23.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -141.77 -174.99 4.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.905 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.22 -30.8 63.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.3 t -106.4 -32.54 2.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.217 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.01 169.75 8.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -174.67 98.46 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.563 ' O ' HG22 ' A' ' 21' ' ' THR . 3.3 m-70 -102.46 142.66 33.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.962 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.45 ' CE1' HG23 ' A' ' 21' ' ' THR . 38.1 m-85 -125.54 156.17 39.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 179.92 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.7 t -88.57 165.31 14.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.967 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.7 t -109.22 8.35 25.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.364 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.535 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 54.02 24.78 29.01 Favored Glycine 0 C--N 1.332 0.306 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.753 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.1 ttp85 -112.2 -35.98 5.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.832 0.348 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 m -129.11 172.74 11.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.761 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 35.4 m -110.55 22.55 15.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.946 179.89 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -131.11 92.21 3.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.753 179.787 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.4 t -53.12 107.69 0.91 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.078 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.444 ' HB2' ' CD2' ' A' ' 42' ' ' TYR . 55.1 Cg_endo -69.76 177.54 5.48 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.469 2.113 . . . . 0.0 112.277 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.5 p -94.41 46.48 1.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.444 ' CD2' ' HB2' ' A' ' 40' ' ' PRO . 17.5 m-85 -114.1 88.32 14.63 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -51.91 131.44 38.42 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.55 2.167 . . . . 0.0 112.328 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.39 -1.228 . . . . 0.0 112.496 -180.0 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.8 0.333 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 16.1 ttm -105.33 81.95 1.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.947 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -73.94 136.49 43.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 67.9 m -153.47 -178.09 6.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.7 p -141.55 112.95 7.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.824 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.7 p -101.7 108.4 19.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.62 -157.55 21.33 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.529 -179.787 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -83.44 -43.58 0.07 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.766 2.311 . . . . 0.0 112.863 -179.713 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -92.92 46.03 1.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.948 0.404 . . . . 0.0 111.276 -179.538 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.0 p -170.11 120.45 0.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.969 0.414 . . . . 0.0 111.064 179.701 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.7 mtp180 -58.71 -162.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.954 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.51 -27.09 35.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.603 -179.663 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -167.23 30.41 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -179.625 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.3 mmtt -158.27 128.17 5.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.569 0.223 . . . . 0.0 110.648 179.743 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.653 HD12 ' O ' ' A' ' 16' ' ' LYS . 3.8 pp -43.58 137.7 2.81 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.697 179.947 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.687 ' HD3' HG21 ' A' ' 20' ' ' THR . 22.1 mttt -59.94 160.03 17.6 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.038 -179.072 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_exo -50.73 138.76 40.76 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.579 2.186 . . . . 0.0 112.417 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.558 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -59.75 105.69 0.4 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.033 179.893 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.404 ' O ' ' CD2' ' A' ' 31' ' ' TYR . . . 115.64 28.43 2.74 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.63 179.896 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.687 HG21 ' HD3' ' A' ' 16' ' ' LYS . 89.8 m -102.84 107.59 18.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.855 0.36 . . . . 0.0 110.852 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -47.15 117.03 1.57 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.333 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 28.3 t -69.84 -49.96 47.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 21.3 t90 -151.03 97.81 2.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.71 111.56 23.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.01 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 70.8 p -80.58 -77.94 0.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.772 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.5 m -162.02 29.29 0.12 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.005 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.3 p 179.74 -38.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.102 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 m -60.62 -79.86 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.971 -179.892 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.9 t 59.69 106.83 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -125.32 93.56 3.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.404 ' CD2' ' O ' ' A' ' 19' ' ' GLY . 15.4 m-85 -63.48 142.83 58.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 20' ' ' THR . 0.5 OUTLIER -69.6 158.82 34.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.016 180.0 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.0 t -96.6 2.26 52.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.165 179.811 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.558 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 53.31 29.07 36.93 Favored Glycine 0 C--N 1.332 0.347 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.65 -179.848 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.41 ' C ' HD22 ' A' ' 15' ' ' LEU . 3.2 ttt180 -119.0 -41.83 2.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.892 0.377 . . . . 0.0 110.921 -179.915 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -151.38 158.8 44.21 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.7 t -72.67 -23.95 60.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.113 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -59.89 89.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.948 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 86.8 m -58.04 109.73 2.02 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.03 177.4 0.06 OUTLIER 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.399 2.066 . . . . 0.0 112.292 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.1 m -91.82 -31.5 15.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 28.5 p90 -83.72 151.74 61.92 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.16 -177.5 2.03 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.542 2.161 . . . . 0.0 112.332 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.385 -1.231 . . . . 0.0 112.511 -179.981 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.829 0.347 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.0 tpt -102.81 82.28 2.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -83.1 -38.32 22.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.4 m 63.43 138.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 76.8 p -67.56 76.15 0.18 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.2 p -91.92 109.55 20.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.22 -176.05 44.09 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.471 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.01 -27.61 25.05 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.521 2.147 . . . . 0.0 112.333 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 67.8 m -109.36 34.2 3.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.953 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.9 p -172.98 116.01 0.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.956 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -132.73 158.68 41.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.737 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 67.73 12.8 9.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.308 -179.935 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.8 t 75.97 38.62 0.34 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.851 -179.732 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -157.23 140.11 15.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.744 179.882 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.561 HD21 ' HA ' ' A' ' 36' ' ' SER . 0.2 OUTLIER -54.67 121.16 7.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.895 179.983 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.497 ' HD3' HG21 ' A' ' 20' ' ' THR . 8.6 tttp -56.26 148.67 40.93 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.057 -179.937 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.23 142.05 57.45 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.581 2.187 . . . . 0.0 112.308 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.23 116.73 5.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.024 179.927 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.83 2.3 7.97 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.901 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.497 HG21 ' HD3' ' A' ' 16' ' ' LYS . 1.0 OUTLIER -72.35 172.94 9.44 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.849 0.357 . . . . 0.0 110.774 179.911 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.489 ' H ' HG22 ' A' ' 20' ' ' THR . 0.0 OUTLIER -107.0 165.92 10.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.027 -179.941 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -105.2 -70.83 0.76 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.1 t90 -137.1 -71.14 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.3 ttt180 59.97 107.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.894 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.7 m -105.46 -34.66 7.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.08 -39.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -112.2 -33.25 2.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.117 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.6 t -72.95 136.99 45.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 72.5 m -139.0 79.19 1.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -103.03 145.43 29.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -136.2 158.95 43.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 28.8 m -93.72 134.79 35.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.9 t -93.96 14.7 18.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.274 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 53.01 25.25 23.59 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.723 179.937 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -107.98 -35.0 6.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.889 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.561 ' HA ' HD21 ' A' ' 15' ' ' LEU . 7.8 t -161.35 165.65 28.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 82.8 m -71.34 -29.12 64.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -62.78 113.54 3.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.97 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.3 t -61.35 139.88 94.69 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.44 171.74 0.19 Allowed 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.469 2.113 . . . . 0.0 112.317 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.7 p -103.95 -32.8 9.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 22.5 p90 -100.35 154.78 37.01 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.97 168.96 20.34 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.578 2.185 . . . . 0.0 112.314 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.376 -1.236 . . . . 0.0 112.505 179.98 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.587 ' HB1' ' HB2' ' A' ' 4' ' ' CYS . . . . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.781 0.324 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 8.7 mtt -100.6 -33.91 10.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -146.28 35.46 0.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.587 ' HB2' ' HB1' ' A' ' 1' ' ' ALA . 34.9 m -105.6 113.13 26.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.8 p -58.96 92.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -87.63 116.67 25.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.88 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.12 -179.52 48.88 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.477 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.04 -26.15 21.93 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.638 2.226 . . . . 0.0 112.394 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.6 t -89.06 5.49 44.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.445 -179.845 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.3 m -123.27 153.05 40.72 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.757 0.313 . . . . 0.0 110.77 179.891 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -86.25 -89.45 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.908 -179.856 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.31 -24.82 7.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.758 0.313 . . . . 0.0 110.98 179.901 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.3 t -178.87 36.01 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.027 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -161.74 137.21 7.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.825 179.95 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.62 HD21 ' C ' ' A' ' 36' ' ' SER . 1.4 mt -56.01 114.93 2.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.729 179.889 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.25 147.94 12.63 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.975 -179.849 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -52.65 143.0 48.31 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.58 2.187 . . . . 0.0 112.388 -179.926 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.99 127.16 30.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.05 179.916 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.43 -5.18 21.39 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.773 -179.92 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.3 m -80.76 112.43 18.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.814 0.34 . . . . 0.0 110.807 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.441 HG23 ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -65.41 147.41 53.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -179.944 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 34.4 m -91.56 -74.85 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.972 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 21.2 t90 -82.31 -36.4 27.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? 59.21 108.48 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -155.23 162.62 40.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.9 t -85.69 56.84 4.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.0 p -178.51 -38.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.156 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 92.3 p -133.6 84.61 2.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 t -79.44 82.89 5.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -72.36 93.59 1.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.987 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.441 ' CD1' HG23 ' A' ' 21' ' ' THR . 22.2 m-85 -85.69 155.97 20.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 179.944 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.2 m -94.74 135.76 35.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.5 p -95.55 12.79 28.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.011 179.855 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.8 28.44 3.78 Favored Glycine 0 C--N 1.333 0.374 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.88 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.469 ' O ' HD11 ' A' ' 15' ' ' LEU . 8.3 mmt-85 -115.22 -35.59 4.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.791 0.329 . . . . 0.0 111.165 -179.799 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.62 ' C ' HD21 ' A' ' 15' ' ' LEU . 1.3 m -133.21 152.9 51.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.979 -179.939 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -71.31 -24.12 62.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.953 179.838 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -94.78 125.48 39.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.794 179.884 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -58.81 146.52 75.22 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.98 -179.916 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.77 177.71 7.26 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.569 2.179 . . . . 0.0 112.346 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.4 m -101.78 33.77 2.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -105.48 88.24 2.58 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.49 96.99 0.59 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.534 2.156 . . . . 0.0 112.296 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.385 -1.231 . . . . 0.0 112.509 -179.984 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.818 0.342 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 5.0 ttt -102.15 36.36 2.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -129.37 156.32 44.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 73.2 m 60.19 108.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.958 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.3 90.59 3.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.611 179.812 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -44.82 96.23 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.427 -179.71 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.17 -166.66 13.99 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.402 -179.956 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -74.95 -26.61 10.86 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.634 2.223 . . . . 0.0 112.601 -179.836 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.405 ' CB ' ' HA ' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -98.19 31.92 2.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.096 -179.836 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.4 m -159.37 110.6 2.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.622 179.793 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.71 -87.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.128 -179.681 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -121.49 -19.73 6.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.609 0.243 . . . . 0.0 111.318 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 176.58 36.85 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.022 -179.827 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.3 tptm -148.96 120.5 7.97 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.857 0.361 . . . . 0.0 110.907 -179.953 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.777 HD13 ' HA ' ' A' ' 35' ' ' ARG . 48.7 mt -47.95 115.96 1.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.777 179.788 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.591 ' HD3' HG21 ' A' ' 20' ' ' THR . 3.9 mttt -47.12 144.39 4.11 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.966 -179.639 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -49.98 128.06 20.99 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.556 2.17 . . . . 0.0 112.498 -179.772 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.3 101.42 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.032 179.878 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 139.88 -14.61 3.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.463 -179.744 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.591 HG21 ' HD3' ' A' ' 16' ' ' LYS . 23.0 m -69.66 112.17 5.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.812 0.339 . . . . 0.0 110.659 179.869 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.57 142.65 50.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.976 -179.752 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -77.19 -57.38 3.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 18.4 t90 -106.7 -71.6 0.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.956 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.67 97.76 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.962 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.87 -34.04 12.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.0 p -178.31 -39.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.478 HG13 ' N ' ' A' ' 28' ' ' SER . 12.3 p -129.91 -44.02 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.138 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.478 ' N ' HG13 ' A' ' 27' ' ' VAL . 23.2 t -66.03 104.25 1.1 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.901 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 73.2 m -131.37 115.72 16.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -77.04 -37.75 54.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 62.66 127.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -73.19 140.83 47.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.0 p -94.85 14.7 20.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.044 179.872 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.38 31.21 6.47 Favored Glycine 0 C--N 1.332 0.339 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.917 179.901 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.777 ' HA ' HD13 ' A' ' 15' ' ' LEU . 27.2 ttm-85 -144.91 19.3 1.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.621 0.248 . . . . 0.0 111.317 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.679 ' N ' HD22 ' A' ' 15' ' ' LEU . 17.9 p -178.26 136.37 0.16 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.779 0.323 . . . . 0.0 110.812 179.882 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.405 ' HA ' ' CB ' ' A' ' 9' ' ' CYS . 3.8 m -78.91 -8.56 58.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.271 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -96.29 93.04 6.65 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.858 0.361 . . . . 0.0 110.823 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.4 p -57.47 109.59 1.87 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.53 176.75 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.433 2.089 . . . . 0.0 112.308 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -112.84 37.17 3.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -114.49 87.52 14.18 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.2 -176.69 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.548 2.166 . . . . 0.0 112.323 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.4 -1.222 . . . . 0.0 112.497 -179.958 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.799 0.333 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 10.0 mtm 63.88 -79.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.8 t0 60.6 -174.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 68.38 8.43 6.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.538 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.655 HG22 ' HB3' ' A' ' 37' ' ' CYS . 0.2 OUTLIER 58.08 106.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 0.0 110.954 179.863 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.3 p -110.91 125.26 53.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 179.873 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.6 -162.53 36.32 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.579 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -78.56 -41.66 0.25 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.724 2.283 . . . . 0.0 112.717 -179.765 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.415 ' CB ' ' HA ' ' A' ' 37' ' ' CYS . 3.4 m -85.6 54.69 3.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.919 0.39 . . . . 0.0 111.215 -179.745 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.403 ' HA ' ' N ' ' A' ' 16' ' ' LYS . 24.2 p 179.49 129.47 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.702 179.69 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -55.17 -42.01 72.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.059 -179.755 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 165.65 -29.31 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.245 -179.923 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.6 m -138.62 10.92 2.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.65 -179.843 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -159.66 133.78 7.49 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.749 0.309 . . . . 0.0 110.66 179.887 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.785 HD22 ' O ' ' A' ' 35' ' ' ARG . 1.9 pp -48.18 131.12 16.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.604 179.897 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.692 ' O ' HD12 ' A' ' 15' ' ' LEU . 12.9 mttp -65.47 160.43 59.51 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.707 -179.61 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -64.37 137.22 54.66 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.517 2.144 . . . . 0.0 112.232 179.87 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.621 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -50.18 157.31 0.68 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.205 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.34 -16.45 61.06 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.678 -179.938 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -57.02 175.07 0.14 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.916 0.388 . . . . 0.0 110.859 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.479 HG21 ' CG ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -126.69 132.7 51.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.892 -179.928 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.0 t -95.78 -31.88 12.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -165.94 83.13 0.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.479 ' CG ' HG21 ' A' ' 21' ' ' THR . 4.8 ptm180 -106.45 104.53 14.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.904 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.603 ' O ' HG23 ' A' ' 27' ' ' VAL . 2.8 m -119.16 30.04 7.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.6 m 58.83 30.83 20.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.943 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.603 HG23 ' O ' ' A' ' 25' ' ' THR . 21.4 t -128.95 -44.56 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.24 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 97.1 p -114.79 -36.88 4.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.1 m 59.77 79.5 0.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.561 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 0.5 OUTLIER -92.29 163.55 13.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.987 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -140.99 152.96 45.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 11.9 t -83.03 132.74 35.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.513 HG23 ' H ' ' A' ' 35' ' ' ARG . 8.9 t -68.78 -12.17 61.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.23 179.872 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.621 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 59.74 29.77 67.91 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.4 -179.773 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.785 ' O ' HD22 ' A' ' 15' ' ' LEU . 3.1 tmt_? -120.73 -38.32 2.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.822 0.344 . . . . 0.0 111.01 -179.853 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 m -155.48 159.59 39.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.719 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.655 ' HB3' HG22 ' A' ' 5' ' ' THR . 4.4 t -72.74 -25.4 61.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.039 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -59.2 88.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.835 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.3 m -55.87 108.75 1.29 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.986 -179.891 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.27 177.55 5.81 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.427 2.084 . . . . 0.0 112.289 179.971 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.6 t -100.9 41.08 1.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -105.1 88.55 2.49 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.561 ' HB3' ' CE1' ' A' ' 30' ' ' HIS . 51.7 Cg_endo -69.12 115.17 3.87 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.571 2.18 . . . . 0.0 112.319 179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.369 -1.239 . . . . 0.0 112.475 179.981 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.834 0.35 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 14.3 ttt 60.36 80.1 0.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.936 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -94.9 127.22 40.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.2 m -106.31 -33.86 7.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.954 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.405 ' CG2' ' HB3' ' A' ' 37' ' ' CYS . 0.2 OUTLIER 63.92 135.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.716 -179.851 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -123.33 134.69 54.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.912 -179.937 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.21 -162.89 34.61 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.427 -179.895 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -79.22 -43.83 0.14 Allowed 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.629 2.219 . . . . 0.0 112.6 -179.808 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -62.31 -27.83 69.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.227 -179.732 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.5 p -111.76 128.78 56.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.836 179.903 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.3 mtp85 -58.43 -91.04 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.186 -179.667 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -123.49 -19.18 5.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.576 0.227 . . . . 0.0 111.413 -179.786 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.1 m -171.36 29.37 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.696 -0.229 . . . . 0.0 111.466 -179.747 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.5 tttt -170.19 122.57 0.67 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.768 0.318 . . . . 0.0 110.84 179.911 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.611 HD13 ' C ' ' A' ' 35' ' ' ARG . 0.1 OUTLIER -47.85 115.65 1.23 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.713 179.818 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.789 ' HD2' HG21 ' A' ' 20' ' ' THR . 7.7 mttm -46.75 164.05 0.23 Allowed Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 -179.599 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -56.24 138.33 82.96 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.598 2.199 . . . . 0.0 112.191 179.909 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.31 119.0 4.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.224 179.939 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.46 13.19 8.31 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.723 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.789 HG21 ' HD2' ' A' ' 16' ' ' LYS . 10.9 m -91.69 118.87 31.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.853 0.359 . . . . 0.0 110.766 179.926 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 t -50.66 139.36 16.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.19 -179.858 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 51.4 t -113.06 101.47 9.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 71.0 t90 60.54 95.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.81 127.56 55.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.1 p -92.15 -78.4 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.21 37.73 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.1 p -178.5 -38.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 179.919 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.8 p -80.16 -78.11 0.17 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.4 t 60.17 108.5 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -93.14 -168.76 2.0 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -152.57 112.49 3.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 14.7 t -66.04 143.72 57.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.819 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.499 HG23 ' HB2' ' A' ' 35' ' ' ARG . 1.9 t -90.66 10.47 25.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.354 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.473 ' O ' HD12 ' A' ' 15' ' ' LEU . . . 50.17 28.41 13.2 Favored Glycine 0 C--N 1.332 0.341 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.726 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.611 ' C ' HD13 ' A' ' 15' ' ' LEU . 3.7 mmt180 -102.51 -35.71 8.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.835 0.35 . . . . 0.0 111.004 -179.833 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -166.74 171.8 11.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.947 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.405 ' HB3' ' CG2' ' A' ' 5' ' ' THR . 6.7 t -74.81 -25.77 59.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.064 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -58.87 88.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.927 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 36.0 t -59.92 110.52 2.87 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.447 ' HB2' ' CE1' ' A' ' 42' ' ' TYR . 52.9 Cg_exo -52.68 177.22 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.433 2.089 . . . . 0.0 112.263 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -126.38 65.65 1.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.447 ' CE1' ' HB2' ' A' ' 40' ' ' PRO . 14.3 p90 -141.52 149.21 53.37 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.51 127.68 25.1 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.559 2.173 . . . . 0.0 112.286 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.512 179.963 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.845 0.355 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 6.8 ttm -158.77 -52.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -106.87 31.55 5.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -110.88 119.19 38.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 47.1 p -63.58 109.68 1.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.671 HG23 ' HA ' ' A' ' 12' ' ' GLN . 12.9 m -117.44 155.63 29.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.94 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.74 -169.51 29.25 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.513 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.28 -37.1 6.19 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.609 2.206 . . . . 0.0 112.421 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -100.13 31.67 3.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.943 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 55.9 m -144.83 160.89 40.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.88 31.97 2.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.992 -179.9 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.671 ' HA ' HG23 ' A' ' 6' ' ' THR . 1.7 tp60 69.96 9.34 7.07 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.492 179.941 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.4 m -164.14 -41.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.693 0.282 . . . . 0.0 111.245 -179.957 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.7 mttm -128.06 159.11 36.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.829 0.347 . . . . 0.0 110.997 -179.867 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.452 HD13 ' HA ' ' A' ' 35' ' ' ARG . 59.6 mt -59.07 132.64 54.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 179.884 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -59.07 149.46 66.74 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.743 179.913 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -51.53 121.95 9.41 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.524 2.149 . . . . 0.0 112.384 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.73 109.38 0.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.1 179.891 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.26 23.97 4.32 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.497 -179.74 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.1 m -100.81 127.46 47.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.785 0.326 . . . . 0.0 110.56 179.918 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.571 HG22 ' HA ' ' A' ' 29' ' ' SER . 0.1 OUTLIER -49.87 163.28 0.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.314 -179.645 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.0 t -154.13 -45.98 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.012 -179.887 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.418 ' O ' ' HB2' ' A' ' 24' ' ' ARG . 0.9 OUTLIER -175.72 -178.56 1.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.086 -179.83 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.418 ' HB2' ' O ' ' A' ' 23' ' ' TRP . 0.0 OUTLIER 175.34 -33.64 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.832 179.852 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 75.21 48.66 0.09 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.807 -179.803 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 m -178.81 -72.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.741 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.519 HG22 ' O ' ' A' ' 27' ' ' VAL . 11.8 p -123.94 -3.29 6.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.635 179.95 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.6 p 57.64 106.71 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.864 0.364 . . . . 0.0 111.014 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.571 ' HA ' HG22 ' A' ' 21' ' ' THR . 40.4 t -176.66 36.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.225 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.412 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 0.2 OUTLIER -65.38 -29.89 70.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.773 179.836 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 60.0 105.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.976 179.894 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.4 t -70.25 159.67 33.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 179.904 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.7 t -100.52 7.36 44.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.383 -179.904 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.2 36.01 9.64 Favored Glycine 0 C--N 1.333 0.41 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.784 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.452 ' HA ' HD13 ' A' ' 15' ' ' LEU . 6.7 mmm180 -108.17 -37.58 5.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.838 0.351 . . . . 0.0 111.121 -179.837 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.5 p -153.03 161.89 41.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.966 -179.922 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.1 m -70.82 -28.5 64.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.807 179.846 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -63.19 84.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.8 t -54.95 108.27 1.11 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.96 -179.899 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.23 177.63 6.37 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.436 2.091 . . . . 0.0 112.327 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.6 m -108.88 54.84 0.65 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -105.68 87.62 2.36 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.937 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.412 ' HB3' ' CE1' ' A' ' 30' ' ' HIS . 54.2 Cg_endo -69.73 125.62 12.38 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.567 2.178 . . . . 0.0 112.279 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.414 -1.215 . . . . 0.0 112.461 179.998 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.814 0.34 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 2.4 mtp 60.27 165.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -76.9 -176.4 3.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m -96.54 6.02 49.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.343 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.8 p 49.47 71.47 0.38 Allowed 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.834 0.35 . . . . 0.0 111.07 -179.888 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.92 153.67 24.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.873 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.71 -164.74 30.4 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.521 -179.875 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -76.03 -45.19 0.23 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.625 2.217 . . . . 0.0 112.645 -179.88 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -95.05 52.46 1.45 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.051 -179.815 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.7 m -132.9 145.83 51.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.826 179.915 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.04 74.43 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.799 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 68.98 -68.28 0.19 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.005 -179.919 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.7 t -144.59 30.29 1.22 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.4 mptt -152.4 130.12 11.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.795 179.957 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.696 HD11 ' HA ' ' A' ' 36' ' ' SER . 0.3 OUTLIER -50.02 121.61 5.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.933 179.907 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.0 155.3 3.26 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.955 -179.733 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -65.1 144.84 83.25 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.595 2.196 . . . . 0.0 112.385 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.12 165.63 1.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.011 179.889 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.404 ' O ' ' CD2' ' A' ' 31' ' ' TYR . . . 61.78 17.77 55.18 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.631 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.0 m -110.57 111.76 23.21 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.839 0.352 . . . . 0.0 110.853 179.897 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 t -56.79 167.37 0.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 -179.923 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 90.8 m -107.59 -42.13 4.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.789 ' CZ3' HG21 ' A' ' 25' ' ' THR . 31.9 t90 -129.1 83.85 2.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.951 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.5 ptt180 -60.96 136.57 58.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.789 HG21 ' CZ3' ' A' ' 23' ' ' TRP . 2.5 t -171.44 161.76 6.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -88.66 54.08 2.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -152.08 -45.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 179.949 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.8 t -166.96 136.17 2.85 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.0 p -116.93 149.46 40.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -128.26 80.1 1.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.404 ' CD2' ' O ' ' A' ' 19' ' ' GLY . 27.6 m-85 -60.1 132.24 53.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.3 m -76.22 173.13 11.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.904 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.3 p -116.7 14.4 15.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.225 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.24 24.41 15.73 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.737 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 42.5 mtm-85 -114.41 -33.17 5.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.73 0.3 . . . . 0.0 110.986 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.696 ' HA ' HD11 ' A' ' 15' ' ' LEU . 1.5 m -142.05 156.47 45.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.1 m -70.38 -26.81 63.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.762 179.879 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -69.33 157.74 36.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 179.933 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.54 93.06 30.99 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -67.64 178.19 3.48 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.495 2.13 . . . . 0.0 112.246 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.6 m -84.55 57.18 4.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -123.71 76.91 56.46 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.79 -27.09 26.77 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.592 2.195 . . . . 0.0 112.357 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.402 -1.221 . . . . 0.0 112.494 -179.969 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.832 0.349 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 4.7 mtp -95.58 82.38 3.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -104.24 114.8 29.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 39.6 m -105.27 111.51 24.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.955 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.512 HG23 ' SG ' ' A' ' 10' ' ' CYS . 2.1 t -72.64 64.48 0.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.748 179.854 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.66 108.47 0.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.004 -179.845 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.63 -162.85 13.49 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.47 179.958 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.0 -33.46 3.63 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.623 2.215 . . . . 0.0 112.563 -179.8 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.0 t -102.22 29.88 4.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.256 -179.809 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.512 ' SG ' HG23 ' A' ' 5' ' ' THR . 17.9 m -146.65 109.11 4.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.971 179.907 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.8 ttt85 -119.78 139.22 52.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.728 179.844 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.41 ' O ' ' HB3' ' A' ' 13' ' ' CYS . 1.4 mp0 64.4 14.64 8.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.327 -179.927 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.41 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 23.5 t 72.58 50.31 0.18 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.844 -179.833 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -148.02 109.56 4.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.57 179.789 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 mt -45.05 104.0 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.007 -179.95 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt -46.88 149.65 1.49 Allowed Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.122 -179.689 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -65.55 143.83 76.77 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.517 2.145 . . . . 0.0 112.345 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.01 154.99 4.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.139 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.408 ' O ' ' CD1' ' A' ' 31' ' ' TYR . . . 86.39 -6.3 82.37 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.731 -179.819 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.4 m -93.01 113.85 26.24 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.831 0.348 . . . . 0.0 110.845 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 t -58.96 168.32 1.33 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.973 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.9 p -153.79 31.58 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.423 ' CH2' HG21 ' A' ' 27' ' ' VAL . 21.5 t90 -174.19 85.38 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -104.35 123.37 47.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.959 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 25' ' ' THR . 18.7 m -155.89 30.94 0.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.6 m 59.6 29.99 19.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.423 HG21 ' CH2' ' A' ' 23' ' ' TRP . 6.9 m -116.42 -37.48 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.187 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.0 t -177.25 -169.75 0.25 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.941 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.4 86.72 2.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -77.36 80.72 3.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.408 ' CD1' ' O ' ' A' ' 19' ' ' GLY . 31.4 m-85 -65.18 141.01 58.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 14.8 m -76.19 166.14 23.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.4 p -109.33 11.15 25.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.234 179.911 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 51.47 50.43 41.72 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.752 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.2 mtp85 -151.02 -46.18 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.867 0.365 . . . . 0.0 111.061 -179.922 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 40.3 t -135.08 152.83 52.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.948 -179.943 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.71 -24.94 62.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.841 179.917 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -59.06 105.71 0.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.97 -179.93 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 84.6 m -63.07 111.58 5.2 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.4 159.77 4.14 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.397 2.065 . . . . 0.0 112.305 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.1 m -99.37 31.94 2.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -148.73 152.26 37.17 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.06 137.85 35.53 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.516 2.144 . . . . 0.0 112.327 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.394 -1.226 . . . . 0.0 112.517 -179.991 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.876 0.37 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -146.24 167.97 22.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -135.2 104.53 5.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.8 m 60.99 112.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.966 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.495 HG22 ' HB2' ' A' ' 37' ' ' CYS . 1.3 m -70.31 103.42 2.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.947 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.09 157.8 21.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.93 -169.27 25.35 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.511 -179.88 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -74.48 -45.11 0.34 Allowed 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.649 2.232 . . . . 0.0 112.516 -179.865 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 50.6 t -86.63 57.81 4.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.963 0.411 . . . . 0.0 111.004 -179.849 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.0 m -136.21 134.53 38.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.63 179.865 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -34.62 76.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 165.33 -30.24 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.085 -179.9 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -155.36 26.3 0.41 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.868 179.918 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -173.19 169.88 4.45 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.904 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.401 ' CD2' ' N ' ' A' ' 37' ' ' CYS . 67.3 mt -60.67 137.67 58.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.029 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.8 mttm -72.37 155.46 91.34 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.519 179.754 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -58.8 128.93 29.84 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.534 2.156 . . . . 0.0 112.176 179.924 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.24 116.72 2.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.287 -179.959 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.31 22.18 5.94 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.508 -179.854 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.8 m -112.55 115.92 29.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.844 0.354 . . . . 0.0 110.868 -179.976 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.7 t -59.76 145.74 44.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 71.6 m -84.74 -66.76 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.815 ' CZ3' HG21 ' A' ' 25' ' ' THR . 26.6 t90 -106.72 146.68 30.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.977 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.5 mtt180 -111.84 143.14 43.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.815 HG21 ' CZ3' ' A' ' 23' ' ' TRP . 1.8 t -176.77 162.9 2.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 t -90.96 51.18 1.91 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.85 -179.989 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -152.0 -45.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.164 179.992 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.3 m -156.16 179.99 8.7 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.945 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.8 t -150.72 146.5 26.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -109.24 81.24 1.41 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.981 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -67.53 112.24 4.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.4 t -72.58 146.69 46.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 179.966 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.3 t -95.41 13.18 26.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.356 -179.926 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.47 25.41 20.26 Favored Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.755 179.975 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.6 ttt85 -107.03 -34.27 7.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.815 0.34 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.6 p -146.43 151.23 37.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.495 ' HB2' HG22 ' A' ' 5' ' ' THR . 1.1 m -72.32 -22.47 61.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.957 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -81.93 102.37 10.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.823 179.924 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.3 m -59.03 149.41 66.63 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.972 -179.955 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.63 177.59 6.02 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.592 2.194 . . . . 0.0 112.34 179.944 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 86.6 p -88.62 -31.49 18.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 179.943 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 31.5 p90 -86.39 149.04 48.45 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.1 -62.07 0.39 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.572 2.181 . . . . 0.0 112.321 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.38 -1.233 . . . . 0.0 112.508 -179.986 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.798 0.332 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.23 162.17 29.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -160.11 35.71 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 180.0 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 79.3 m 60.44 110.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.4 ' CG2' ' CB ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -64.15 147.68 51.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.81 179.932 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.6 p -126.39 128.89 47.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.032 -179.859 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.6 -166.29 33.78 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.521 179.926 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -78.86 -44.79 0.13 Allowed 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.74 2.293 . . . . 0.0 112.811 -179.712 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -62.69 -33.47 75.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.076 -179.645 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.0 p -102.6 144.86 30.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.738 179.825 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.89 -81.92 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.811 -179.682 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -140.7 8.99 2.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.509 -179.92 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.2 t -176.63 -29.01 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -179.915 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.8 tttp -129.42 144.28 51.18 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.957 0.408 . . . . 0.0 111.183 -179.489 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.82 HD13 ' C ' ' A' ' 35' ' ' ARG . 0.2 OUTLIER -56.52 124.29 17.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.535 179.623 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.559 ' HD3' HG21 ' A' ' 20' ' ' THR . 2.1 mttm -57.67 156.88 15.89 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.683 -179.797 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -55.24 141.69 80.22 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.524 2.149 . . . . 0.0 112.08 179.905 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.53 113.43 0.89 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.232 -179.97 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 138.56 -12.67 3.47 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.681 -179.902 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.559 HG21 ' HD3' ' A' ' 16' ' ' LYS . 1.6 m -70.81 117.32 12.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.831 0.348 . . . . 0.0 110.682 179.955 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.1 148.54 47.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.094 -179.783 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -83.64 -31.15 26.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -140.62 -66.59 0.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.1 ttt-85 60.93 107.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 39.9 p -149.99 36.43 0.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.818 -179.978 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.8 t 78.19 -56.38 0.48 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.068 -179.918 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -82.92 -30.86 8.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.133 -179.976 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 97.8 p -118.88 159.89 22.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.2 p -176.86 118.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -126.03 90.86 3.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.963 179.989 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -67.64 147.34 52.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.96 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 9.7 t -82.62 134.42 35.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.2 t -72.19 -9.44 58.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.249 179.944 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.16 36.8 90.74 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.558 -0.83 . . . . 0.0 112.301 -179.846 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.82 ' C ' HD13 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -118.43 -38.09 3.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.766 0.317 . . . . 0.0 111.025 -179.903 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.478 ' HA ' HD22 ' A' ' 15' ' ' LEU . 32.0 p -162.18 172.46 15.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.011 -179.941 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.4 ' CB ' ' CG2' ' A' ' 5' ' ' THR . 15.5 t -72.7 -20.62 61.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.075 179.905 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -62.02 88.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.81 179.995 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.56 145.61 76.16 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.02 163.81 1.95 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.53 2.153 . . . . 0.0 112.369 179.938 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.6 p -109.97 -30.81 7.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.916 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 27.3 p90 -84.43 161.28 54.69 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.53 -175.04 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.563 2.176 . . . . 0.0 112.389 179.986 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.423 -1.21 . . . . 0.0 112.512 -179.982 . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 120.842 0.354 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 2.7 mmt -104.34 -33.1 8.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -175.22 -40.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m 66.33 9.06 6.11 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.629 179.969 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.676 HG22 ' SG ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER 52.01 72.11 0.41 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.826 0.346 . . . . 0.0 111.015 179.919 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -87.13 150.25 24.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.818 -179.978 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.16 -166.42 28.5 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.617 -179.851 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_exo -66.15 -60.02 0.12 Allowed 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.887 2.391 . . . . 0.0 112.653 -179.667 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 98.1 m -82.91 56.79 3.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.935 0.398 . . . . 0.0 111.232 -179.582 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.9 m -134.26 162.82 31.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.761 179.797 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.0 ttt-85 -132.34 77.7 1.77 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.926 -179.947 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 69.99 -65.49 0.31 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.897 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.4 t -150.98 31.17 0.62 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.056 -179.738 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -156.77 145.94 20.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.509 HD11 ' O ' ' A' ' 35' ' ' ARG . 0.2 OUTLIER -54.85 128.74 34.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 179.964 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -57.4 159.93 7.95 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.942 -179.87 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.8 146.62 54.85 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.553 2.169 . . . . 0.0 112.374 179.98 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.07 103.44 2.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.024 179.87 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.64 31.53 1.34 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.634 179.971 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.476 HG22 ' H ' ' A' ' 21' ' ' THR . 1.2 m -98.43 172.3 7.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.768 0.318 . . . . 0.0 110.805 179.916 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.476 ' H ' HG22 ' A' ' 20' ' ' THR . 0.2 OUTLIER -121.9 113.7 19.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.871 -179.967 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.5 p -90.18 -34.74 15.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 57.4 t90 -167.76 95.86 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.3 ptt85 -100.32 154.55 18.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -136.63 -177.08 4.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.14 -32.94 33.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 179.972 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.8 m -84.3 -32.37 8.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.096 179.957 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.4 t -146.56 -170.61 3.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -158.95 126.89 5.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 29.0 m170 -100.04 101.65 12.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -105.0 147.66 27.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.0 m -88.34 134.89 33.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.799 179.93 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.8 t -95.42 18.68 12.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.155 -179.984 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.01 24.84 15.55 Favored Glycine 0 CA--C 1.518 0.27 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.761 179.957 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.509 ' O ' HD11 ' A' ' 15' ' ' LEU . 2.0 tpt180 -116.95 -37.76 3.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.787 0.327 . . . . 0.0 110.943 -179.915 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.458 ' HA ' HD11 ' A' ' 15' ' ' LEU . 36.9 m -142.69 151.82 41.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.676 ' SG ' HG22 ' A' ' 5' ' ' THR . 1.3 m -72.44 -22.6 61.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.944 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -78.26 115.33 17.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.81 179.914 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.0 m -61.71 153.67 70.15 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.09 150.93 66.91 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.533 2.156 . . . . 0.0 112.327 179.95 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 95.4 p -98.47 35.53 1.78 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -180.0 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.412 ' CD1' ' N ' ' A' ' 42' ' ' TYR . 3.7 p90 -158.08 154.62 24.6 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.18 163.45 1.57 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.548 2.166 . . . . 0.0 112.295 179.987 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.027 0 CA-C-O 118.372 -1.238 . . . . 0.0 112.516 179.988 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.325 0 CA-C-O 120.792 0.329 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 2.6 mmt -79.3 127.33 31.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -60.75 110.33 1.28 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.978 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 41.3 m 61.02 113.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.961 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.7 p -59.04 112.87 1.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.732 179.832 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -113.24 143.84 43.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.926 -179.985 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.03 -156.91 26.98 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.508 -179.908 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.13 -44.65 0.25 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.642 2.228 . . . . 0.0 112.59 -179.812 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.7 m -95.89 57.64 1.84 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.097 -179.831 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.424 ' HB3' ' HA ' ' A' ' 15' ' ' LEU . 0.5 OUTLIER -173.86 135.08 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.88 179.838 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -133.39 150.83 51.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.627 179.878 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 66.74 -74.79 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -166.95 30.39 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.17 -179.831 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -164.33 158.81 19.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.806 0.336 . . . . 0.0 110.941 179.957 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.602 HD12 ' O ' ' A' ' 16' ' ' LYS . 4.0 pp -58.06 138.44 56.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.799 179.924 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.602 ' O ' HD12 ' A' ' 15' ' ' LEU . 0.8 OUTLIER -60.34 165.75 4.88 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.809 -179.884 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -65.23 143.16 76.41 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.557 2.171 . . . . 0.0 112.236 179.927 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.6 157.95 4.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.093 -179.989 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 62.03 24.17 64.66 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.566 -179.951 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 66.4 m -118.35 124.63 48.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.809 0.337 . . . . 0.0 110.833 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.853 HG21 ' HD2' ' A' ' 24' ' ' ARG . 1.4 t -57.38 146.33 29.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.0 -179.97 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.6 p -107.14 -40.62 5.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 -179.973 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 19.7 t90 -96.26 -70.83 0.7 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.978 179.978 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.853 ' HD2' HG21 ' A' ' 21' ' ' THR . 3.3 ttt180 61.15 155.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.922 179.985 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.427 HG23 ' O ' ' A' ' 24' ' ' ARG . 15.3 p -156.71 -78.19 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.971 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.93 -39.27 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.919 179.943 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.1 p -104.33 -32.34 2.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.065 179.991 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.9 m -125.0 107.4 10.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 179.959 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.8 m -100.09 164.85 11.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.982 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -133.35 -176.29 4.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -153.65 125.28 7.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.8 t -83.76 154.05 23.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.8 t -94.57 1.64 55.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.357 179.995 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.543 ' C ' HD13 ' A' ' 15' ' ' LEU . . . 55.32 39.24 71.5 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.608 -179.959 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.491 ' C ' HD22 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -117.72 -37.13 3.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.789 0.328 . . . . 0.0 111.084 -179.856 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.1 t -161.46 173.91 14.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.951 -179.95 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 98.9 m -69.92 -28.39 65.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.809 179.903 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -62.17 84.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.9 t -63.14 134.14 95.7 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.826 179.961 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.73 172.71 13.05 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.47 2.113 . . . . 0.0 112.287 179.984 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.0 t -114.33 35.13 4.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -106.12 86.7 2.12 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 179.954 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.99 97.13 0.64 Allowed 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.564 2.176 . . . . 0.0 112.288 179.984 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.087 0 CA-C-O 118.404 -1.22 . . . . 0.0 112.477 179.972 . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.801 0.334 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.6 ptt? -162.23 35.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.98 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -142.01 152.7 43.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.69 -33.48 72.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 63.94 135.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.791 -179.922 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.43 138.88 52.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.983 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.72 -165.61 33.61 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.527 -179.988 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.36 -25.87 21.19 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.649 2.233 . . . . 0.0 112.494 -179.943 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -97.93 29.71 3.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.056 -179.888 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 62.5 m -124.38 140.35 53.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.663 179.841 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.2 mtt-85 -84.66 -89.37 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.077 -179.782 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -119.13 -22.0 7.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.659 0.266 . . . . 0.0 111.222 -179.917 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 179.43 37.96 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.979 -179.882 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? -167.07 147.44 5.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.931 -179.954 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.423 HD21 ' C ' ' A' ' 36' ' ' SER . 0.2 OUTLIER -58.54 118.59 5.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 179.93 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.419 ' CE ' HG21 ' A' ' 20' ' ' THR . 27.4 mtmt -56.66 155.35 14.69 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.924 -179.915 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -68.7 145.72 64.34 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.567 2.178 . . . . 0.0 112.33 179.997 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.423 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -57.42 123.12 14.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.112 179.978 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.91 -25.43 5.83 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.493 -179.899 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.419 HG21 ' CE ' ' A' ' 16' ' ' LYS . 3.2 m -67.31 120.73 14.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.795 0.331 . . . . 0.0 110.874 179.963 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.828 HG23 ' CD2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -80.54 140.36 35.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.939 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 15.8 p -104.61 -42.51 5.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.957 -179.989 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -115.03 144.81 43.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -176.27 92.05 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.966 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.9 t -81.36 -36.95 29.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.5 t -178.53 -39.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.4 p -117.74 -37.4 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.135 -179.973 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 m -62.16 155.78 23.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.961 -179.977 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 p -167.42 110.73 0.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 32.1 m-70 -119.74 96.07 5.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.828 ' CD2' HG23 ' A' ' 21' ' ' THR . 40.1 m-85 -73.91 154.37 39.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 35.4 m -74.41 147.22 42.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 179.952 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 20.7 p -92.95 6.73 46.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.272 179.935 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.423 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 51.73 27.82 20.98 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.778 179.887 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -136.92 -45.47 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.907 0.384 . . . . 0.0 111.135 -179.968 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.423 ' C ' HD21 ' A' ' 15' ' ' LEU . 1.4 m -123.31 140.51 52.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.899 -179.927 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.7 t -76.27 -13.31 60.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.27 179.898 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -83.82 102.54 12.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.824 0.345 . . . . 0.0 110.82 179.965 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -58.57 148.47 65.98 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.47 177.41 6.09 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.576 2.184 . . . . 0.0 112.303 -179.96 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.4 t -105.34 -31.19 9.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.953 179.928 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 28.2 p90 -84.84 149.98 54.84 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 179.967 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.0 -178.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.569 2.18 . . . . 0.0 112.332 -179.971 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.378 -1.234 . . . . 0.0 112.542 179.993 . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.843 0.354 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 2.0 tpp -99.62 150.62 22.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.995 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 60.56 158.1 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -158.1 124.07 4.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.975 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.526 HG22 ' SG ' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -60.66 107.64 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.736 179.839 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.15 172.19 7.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.34 165.3 14.11 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.456 -179.991 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -52.97 -25.57 28.54 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.59 2.193 . . . . 0.0 112.373 179.971 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.6 t -107.64 25.91 10.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.097 -179.893 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.7 m -158.88 109.21 2.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 -124.79 144.41 50.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.675 179.839 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 64.04 14.72 8.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.343 -179.843 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.1 m 71.7 48.08 0.32 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.922 -179.817 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -155.84 125.32 6.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.66 179.831 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.508 HD11 ' CA ' ' A' ' 36' ' ' SER . 4.1 mm? -47.43 121.81 4.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.94 -179.906 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -49.58 151.62 2.82 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.067 -179.735 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.0 117.17 3.47 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.534 2.156 . . . . 0.0 112.374 -179.902 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.527 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -57.13 114.59 2.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.047 179.801 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.48 15.41 5.45 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.784 -179.926 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.429 HG22 ' HB2' ' A' ' 32' ' ' CYS . 12.8 t -114.04 173.93 6.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.632 0.253 . . . . 0.0 110.459 179.81 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.1 t -74.55 164.56 26.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.787 179.958 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.38 87.31 2.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.484 ' CH2' HG21 ' A' ' 25' ' ' THR . 1.0 OUTLIER 58.73 173.73 0.07 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.97 179.956 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -161.13 110.15 1.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.484 HG21 ' CH2' ' A' ' 23' ' ' TRP . 0.8 OUTLIER -122.49 29.92 6.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 -179.992 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 57.64 22.32 8.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.228 -179.977 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.624 HG22 ' O ' ' A' ' 27' ' ' VAL . 14.7 p -177.97 36.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.901 0.381 . . . . 0.0 111.102 179.914 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m 176.72 72.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.741 179.96 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.2 p -107.03 126.83 52.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.967 -179.92 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 -138.83 -162.94 1.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.584 179.897 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -136.95 145.2 43.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.875 0.369 . . . . 0.0 111.153 -179.934 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.429 ' HB2' HG22 ' A' ' 20' ' ' THR . 5.0 m -86.94 125.92 34.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.739 179.899 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.2 p -91.19 14.57 13.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.961 179.641 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.527 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 46.77 43.84 16.77 Favored Glycine 0 C--N 1.334 0.425 0 C-N-CA 120.894 -0.669 . . . . 0.0 112.83 179.963 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -139.42 -46.4 0.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 111.165 -179.806 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.508 ' CA ' HD11 ' A' ' 15' ' ' LEU . 3.7 m -131.54 148.43 52.62 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.025 -179.833 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.526 ' SG ' HG22 ' A' ' 5' ' ' THR . 29.1 m -72.67 -20.55 61.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.098 179.882 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -77.59 107.93 10.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 89.9 m -57.46 109.68 1.93 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.5 177.37 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.401 2.067 . . . . 0.0 112.271 179.97 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.42 31.54 3.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.862 -179.974 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -108.18 80.18 1.05 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.92 174.4 9.7 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.617 2.211 . . . . 0.0 112.278 -179.977 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.406 -1.219 . . . . 0.0 112.51 179.994 . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.863 0.363 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.9 139.52 37.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.978 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -149.71 167.9 25.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 19.6 m -91.05 -30.89 16.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.975 179.988 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.72 63.5 1.31 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.742 -179.885 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.63 142.5 27.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.109 -179.849 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.76 178.23 37.95 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.402 -179.961 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -69.0 -28.08 29.31 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.579 2.186 . . . . 0.0 112.275 179.987 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 37.2 t -100.56 40.25 1.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.978 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -144.1 112.93 6.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.916 -179.927 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.94 76.12 0.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.685 179.836 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 70.5 -65.14 0.34 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.98 -179.849 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m -147.66 28.88 0.94 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -141.77 143.89 33.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.828 -179.947 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.707 HD22 ' SG ' ' A' ' 37' ' ' CYS . 0.4 OUTLIER -59.62 113.82 2.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.968 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.8 ' HD3' HG21 ' A' ' 20' ' ' THR . 0.0 OUTLIER -57.92 132.79 83.39 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.762 179.948 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -50.57 140.18 36.8 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.461 2.107 . . . . 0.0 112.42 -179.914 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.17 148.11 23.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.959 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.96 -25.0 27.35 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.462 -179.888 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.8 HG21 ' HD3' ' A' ' 16' ' ' LYS . 70.4 m -69.0 109.39 3.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.841 0.353 . . . . 0.0 110.826 -179.993 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.556 HG23 ' CD1' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -77.51 133.76 38.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.841 -179.944 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 26.3 p -79.93 -41.05 26.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 -179.957 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.73 -69.57 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.967 179.958 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.01 80.61 0.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.876 179.937 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.6 p -105.49 -77.96 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 179.995 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 p -177.49 -39.41 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.932 179.935 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.0 p -90.08 -31.15 5.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.077 179.974 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.6 p -123.22 173.86 7.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 m -163.26 97.66 0.91 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -87.14 76.59 9.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.556 ' CD1' HG23 ' A' ' 21' ' ' THR . 38.6 m-85 -67.07 155.23 39.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.4 m -80.23 144.57 32.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.792 179.948 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.7 p -96.42 11.07 36.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.16 179.955 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.485 ' HA2' HD12 ' A' ' 15' ' ' LEU . . . 47.85 27.48 4.86 Favored Glycine 0 C--N 1.332 0.344 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.848 179.899 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 20.1 mtt-85 -128.81 -45.09 1.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.91 0.386 . . . . 0.0 111.022 -179.907 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.64 ' C ' HD21 ' A' ' 15' ' ' LEU . 37.9 m -115.47 166.01 12.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.83 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.707 ' SG ' HD22 ' A' ' 15' ' ' LEU . 16.3 m -109.0 21.35 17.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.998 179.913 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -127.44 110.59 12.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.723 179.784 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.79 145.44 51.98 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.044 -179.843 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -52.85 174.8 0.1 OUTLIER 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.584 2.189 . . . . 0.0 112.331 179.979 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 92.8 p -106.81 -31.57 8.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.94 179.934 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -99.26 156.43 35.44 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.01 134.38 27.32 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.576 2.184 . . . . 0.0 112.31 -179.986 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.375 -1.236 . . . . 0.0 112.523 179.995 . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.822 0.344 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -156.15 35.79 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 179.933 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -129.11 172.63 11.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 85.8 m -106.44 108.68 20.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -71.17 65.88 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.649 179.771 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -48.67 133.63 16.84 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.319 -179.748 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.05 -170.15 43.25 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.386 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.41 ' HB2' ' CB ' ' A' ' 22' ' ' CYS . 41.6 Cg_endo -67.27 -43.14 6.53 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.538 2.159 . . . . 0.0 112.352 179.984 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.6 t -93.21 48.23 1.31 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.831 -179.994 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -144.72 117.53 8.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.734 -179.928 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.8 mmt180 -64.31 -87.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.837 -179.949 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -115.65 -25.93 7.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.803 0.335 . . . . 0.0 110.791 179.755 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 37.7 t -179.79 36.42 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.772 179.993 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -157.05 162.06 39.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.856 0.36 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.616 HD23 ' SG ' ' A' ' 37' ' ' CYS . 6.7 mt -70.5 118.94 13.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.759 179.905 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.5 mttm -53.87 165.48 0.75 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.705 179.957 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -49.9 123.5 10.87 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.465 2.11 . . . . 0.0 112.399 -179.889 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.516 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -49.35 108.48 0.2 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.145 179.945 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.24 26.45 4.6 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.223 -179.667 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.3 m -105.14 115.08 29.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.82 0.343 . . . . 0.0 110.835 -179.881 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 t -59.16 159.51 7.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.967 -179.999 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.41 ' CB ' ' HB2' ' A' ' 8' ' ' PRO . 4.2 p -120.35 -42.31 2.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 179.992 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -130.07 95.96 4.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.963 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -127.4 112.4 14.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.89 -31.86 9.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 m -176.31 -77.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.988 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.1 p -82.53 -32.54 10.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.042 -179.985 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.8 m -74.42 149.23 40.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.6 t -163.76 95.54 0.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.403 ' CG ' ' HA ' ' A' ' 43' ' ' PRO . 11.6 m170 -94.73 79.33 3.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.945 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -65.9 138.01 57.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.991 -179.958 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 14.0 t -80.29 158.98 25.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.83 179.882 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.601 HG23 ' HB2' ' A' ' 35' ' ' ARG . 5.5 t -106.95 14.42 26.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.272 -179.985 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.516 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 52.35 24.55 16.83 Favored Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.791 179.96 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.601 ' HB2' HG23 ' A' ' 33' ' ' THR . 39.3 mtp85 -114.33 -37.82 4.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.886 0.374 . . . . 0.0 110.86 -179.959 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.405 ' CA ' HD22 ' A' ' 15' ' ' LEU . 50.0 m -129.57 160.55 32.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.704 179.894 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.616 ' SG ' HD23 ' A' ' 15' ' ' LEU . 20.4 m -95.58 11.68 32.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.048 179.865 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.7 mp0 -130.23 114.66 15.94 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.657 179.763 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 9.8 m -56.65 136.62 77.79 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.031 -179.819 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.51 177.91 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.411 2.074 . . . . 0.0 112.261 179.993 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.5 m -74.77 -30.85 61.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.917 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 21.1 p90 -96.43 156.86 36.33 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.966 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.403 ' HA ' ' CG ' ' A' ' 30' ' ' HIS . 56.4 Cg_endo -70.52 179.67 3.93 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.546 2.164 . . . . 0.0 112.342 179.983 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.347 -1.252 . . . . 0.0 112.537 -179.963 . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.782 0.325 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 35.8 tpp 60.56 110.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.94 -179.97 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.67 169.76 10.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 -179.989 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 57.5 m -105.54 107.81 18.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.748 HG23 ' SG ' ' A' ' 37' ' ' CYS . 2.2 t -82.05 71.83 9.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.526 179.715 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -45.89 127.34 8.08 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.499 -179.652 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.78 -166.99 31.32 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.308 179.997 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -73.99 -28.49 11.06 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.573 2.182 . . . . 0.0 112.281 179.991 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.95 30.67 4.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 179.879 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.61 111.19 17.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.632 179.978 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.92 -87.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.957 -179.812 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -119.02 -22.65 7.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.725 0.297 . . . . 0.0 111.107 179.977 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 176.2 36.38 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.851 -179.891 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.7 mttm -166.23 150.83 7.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.93 0.395 . . . . 0.0 111.045 -179.913 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.718 HD21 ' C ' ' A' ' 34' ' ' GLY . 16.2 tp -56.71 123.54 15.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.976 179.905 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -62.78 162.01 24.62 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.308 179.435 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -52.46 127.76 25.3 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.396 2.064 . . . . 0.0 112.25 -179.981 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.595 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -50.18 145.59 5.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.069 179.847 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.413 ' O ' ' CD1' ' A' ' 31' ' ' TYR . . . 73.38 14.41 79.37 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.613 -179.834 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 94.3 m -101.12 110.04 22.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.864 0.364 . . . . 0.0 110.801 179.937 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 t -51.9 131.69 31.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.177 179.949 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 28.1 p -100.55 -30.9 11.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 3.9 t90 -93.68 -61.8 1.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.015 0.436 . . . . 0.0 110.864 179.916 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.705 ' O ' HG23 ' A' ' 25' ' ' THR . 23.8 ttm-85 62.39 119.78 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.951 179.958 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.705 HG23 ' O ' ' A' ' 24' ' ' ARG . 0.7 OUTLIER -170.0 178.16 4.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.868 179.967 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 t -98.59 30.26 3.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.949 179.966 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -113.4 -33.12 2.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 -179.941 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.8 t -178.39 -38.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.6 p 62.88 146.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.449 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.6 m-70 -119.87 -169.36 1.76 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.413 ' CD1' ' O ' ' A' ' 19' ' ' GLY . 15.1 m-85 -149.83 148.19 28.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.805 179.913 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.14 132.46 51.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.97 0.414 . . . . 0.0 110.741 179.999 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.549 HG23 ' H ' ' A' ' 35' ' ' ARG . 8.8 t -75.55 -3.36 33.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.225 179.752 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.718 ' C ' HD21 ' A' ' 15' ' ' LEU . . . 56.06 24.31 42.67 Favored Glycine 0 C--N 1.332 0.337 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.565 -179.707 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.549 ' H ' HG23 ' A' ' 33' ' ' THR . 0.7 OUTLIER -126.55 -44.21 1.7 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.872 0.368 . . . . 0.0 111.103 -179.944 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.647 ' C ' HD13 ' A' ' 15' ' ' LEU . 25.0 p -144.71 161.55 38.92 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.795 179.891 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.748 ' SG ' HG23 ' A' ' 5' ' ' THR . 94.7 m -72.3 -22.94 61.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.942 179.99 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -74.34 99.3 3.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.701 179.834 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.3 m -58.69 144.45 80.15 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.001 -179.874 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.444 ' HB2' ' CD2' ' A' ' 42' ' ' TYR . 64.8 Cg_endo -73.71 177.79 7.6 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.61 2.207 . . . . 0.0 112.326 -179.984 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 95.6 p -107.17 31.25 5.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.948 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.444 ' CD2' ' HB2' ' A' ' 40' ' ' PRO . 14.7 m-85 -105.32 149.59 37.91 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.951 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.83 -26.58 27.09 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.55 2.167 . . . . 0.0 112.376 179.963 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.358 -1.245 . . . . 0.0 112.496 179.969 . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.845 0.355 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -148.93 139.13 22.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 60.93 156.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.571 ' CB ' ' HA ' ' A' ' 13' ' ' CYS . 1.5 p -156.94 107.6 2.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.086 179.993 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.07 95.81 1.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.698 179.877 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.81 105.01 0.08 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.274 -179.858 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.18 -152.62 5.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.444 -179.965 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.33 -37.93 2.97 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.608 2.205 . . . . 0.0 112.356 -179.981 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -84.97 -28.72 25.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.047 -179.912 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.809 ' SG ' HD22 ' A' ' 15' ' ' LEU . 16.0 m -102.78 140.44 37.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.851 179.944 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.1 ttt85 -150.84 -55.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.223 -179.93 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -90.51 12.93 17.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.385 -179.88 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.571 ' HA ' ' CB ' ' A' ' 4' ' ' CYS . 7.9 t 79.08 30.23 0.33 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.996 0.427 . . . . 0.0 110.704 -179.578 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.6 mmtt -146.11 106.0 3.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.057 179.564 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.809 HD22 ' SG ' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -40.47 113.31 0.35 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.287 -179.439 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -46.59 164.41 0.22 Allowed Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.199 -179.695 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -60.72 147.28 95.48 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.671 2.247 . . . . 0.0 112.367 -179.942 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.53 167.88 1.81 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.966 179.804 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 59.53 19.26 47.41 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.635 -179.893 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 93.6 m -102.83 103.67 13.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.845 0.355 . . . . 0.0 110.696 179.909 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.0 143.89 41.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.996 -179.912 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 33.6 m -84.44 -58.75 2.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -92.39 -79.01 0.4 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.97 83.76 0.12 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 179.99 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.8 p -115.18 -40.82 3.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.72 -38.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.949 179.966 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.8 t -111.89 -34.36 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.077 -179.986 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.99 146.52 27.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.4 t -165.36 78.27 0.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -102.68 102.47 12.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -76.05 143.65 41.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.3 m -83.59 145.64 28.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.952 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.0 p -103.33 22.71 13.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 179.836 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.04 27.39 22.14 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.69 -179.943 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -119.87 -69.87 0.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.94 0.4 . . . . 0.0 110.99 -179.936 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.725 ' C ' HD21 ' A' ' 15' ' ' LEU . 5.2 t -101.82 146.53 27.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.832 -179.936 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.661 ' N ' HD21 ' A' ' 15' ' ' LEU . 5.2 m -72.89 -17.89 61.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.021 179.947 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -92.54 111.38 22.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.818 0.342 . . . . 0.0 110.938 -179.975 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.6 m -61.61 110.28 2.99 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.808 179.985 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -68.59 176.99 5.16 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.46 2.106 . . . . 0.0 112.286 179.965 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.36 57.22 4.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.88 -179.997 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -116.18 81.54 10.53 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.26 157.59 6.38 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.52 2.147 . . . . 0.0 112.359 179.975 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.371 -1.238 . . . . 0.0 112.529 -179.977 . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.85 0.357 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.9 mtt 60.42 -176.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -122.51 114.97 21.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 82.3 m -108.25 -29.08 9.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.0 179.969 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.3 t 43.3 73.55 0.14 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.408 -179.922 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.7 p -58.47 129.45 42.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.953 -179.948 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.0 177.65 45.19 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.462 179.988 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -79.12 55.53 5.65 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.651 2.234 . . . . 0.0 112.508 -179.901 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -174.35 35.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.013 179.933 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.8 p -171.27 112.03 0.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.911 179.83 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.2 89.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.959 -179.958 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 68.71 -67.82 0.2 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.092 179.983 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 47.1 t -151.31 45.4 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.93 -179.89 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -147.39 119.5 8.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.761 179.87 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 35.7 mt -48.63 108.18 0.17 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.94 179.983 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.49 147.92 7.35 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.866 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -52.31 128.04 26.05 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.687 2.258 . . . . 0.0 112.198 179.955 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.75 116.87 2.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.266 -179.987 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.66 23.87 5.19 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.484 -179.924 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 69.5 m -110.95 123.01 49.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.793 0.33 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.79 154.56 18.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.9 p -123.07 -43.14 2.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.989 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 24.3 t90 -131.14 134.42 46.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.943 179.984 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -175.23 117.1 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 -179.998 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.2 t -106.55 -33.14 7.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.942 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 p -177.72 -39.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.932 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -110.47 -31.61 2.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.099 -179.987 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.9 t -74.6 149.32 40.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.5 t -173.54 103.35 0.12 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -130.61 125.24 33.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.956 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -96.4 137.22 35.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.4 172.13 11.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.947 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.472 HG23 ' HB2' ' A' ' 35' ' ' ARG . 1.9 t -112.73 16.33 19.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.25 -179.977 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 53.57 24.6 25.09 Favored Glycine 0 C--N 1.332 0.325 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.766 179.944 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.472 ' HB2' HG23 ' A' ' 33' ' ' THR . 5.1 mmm180 -111.09 -32.93 6.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.828 0.347 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.4 m -143.7 172.97 12.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.7 t -103.42 16.99 25.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.899 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -123.24 104.2 9.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.868 179.93 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.5 m -59.4 148.18 74.03 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.43 177.54 6.61 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.541 2.16 . . . . 0.0 112.336 -179.993 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.2 m -91.72 -31.6 15.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 28.9 p90 -79.19 154.26 77.17 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.24 153.48 12.87 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.569 2.179 . . . . 0.0 112.281 -179.967 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.389 -1.228 . . . . 0.0 112.465 -179.962 . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.843 0.354 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 40.8 mtm 60.38 179.84 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.96 -179.962 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 60.49 159.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.994 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.2 m -101.55 -30.3 11.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.451 HG23 ' HB2' ' A' ' 37' ' ' CYS . 3.7 t 43.43 70.79 0.28 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.381 -179.939 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 48.1 p -53.76 113.02 1.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.113 -179.911 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.73 173.23 38.07 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.532 -179.957 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.78 -22.02 27.85 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.616 2.211 . . . . 0.0 112.554 -179.978 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.01 24.56 5.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.257 -179.89 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 81.1 m -137.22 145.89 44.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.814 179.908 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -82.98 -85.47 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.045 -179.884 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -114.31 -25.34 8.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.963 -179.995 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 178.13 38.38 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.973 -179.939 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -157.11 142.8 17.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.943 -179.978 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.795 HD21 ' C ' ' A' ' 36' ' ' SER . 0.3 OUTLIER -58.54 115.25 2.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.809 179.987 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.7 mttt -55.55 159.9 4.39 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.0 -179.959 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -68.43 146.09 67.27 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.533 2.155 . . . . 0.0 112.324 179.995 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.82 146.45 21.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.114 179.927 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.02 -22.72 39.42 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.544 -179.916 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.0 m -67.71 106.82 2.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.854 0.359 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.914 HG23 ' CD2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -68.0 138.46 55.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.811 -179.978 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.1 p -117.45 -40.34 3.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -93.6 85.12 4.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.997 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.1 mtt-85 -117.26 114.46 23.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.965 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.548 ' O ' HG23 ' A' ' 27' ' ' VAL . 18.9 p -136.54 31.92 2.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.979 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.0 m 60.69 31.45 20.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 179.974 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 25' ' ' THR . 21.4 t -140.93 -46.33 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 179.993 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -140.83 -176.24 4.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 m -147.87 121.11 8.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -105.49 82.77 1.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.948 179.981 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.914 ' CD2' HG23 ' A' ' 21' ' ' THR . 22.1 m-85 -60.16 150.52 29.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.999 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -80.1 145.96 32.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.2 p -98.08 13.48 30.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.912 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 48.97 27.21 6.45 Favored Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.765 179.975 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -121.3 -69.22 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.963 0.411 . . . . 0.0 111.111 -179.874 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.795 ' C ' HD21 ' A' ' 15' ' ' LEU . 3.7 m -117.37 150.24 39.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.953 -179.887 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.619 ' N ' HD21 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -72.76 -21.11 61.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.009 179.972 . . . . . . . . 3 3 . 1 . 042 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -65.5 102.32 0.69 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 66.5 m -60.13 149.76 73.63 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 179.96 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.04 177.47 5.73 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.581 2.187 . . . . 0.0 112.312 179.978 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 t -123.89 35.61 4.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -161.92 156.21 18.92 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.999 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.98 127.04 13.86 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.592 2.195 . . . . 0.0 112.261 -179.994 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.487 179.974 . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.84 0.352 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.4 32.25 20.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.2 p30 -174.69 170.59 3.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.2 m 66.53 8.94 6.17 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.595 179.953 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 53.69 63.93 2.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.922 0.391 . . . . 0.0 110.88 -179.936 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.37 163.93 26.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.012 -179.859 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.16 179.64 24.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.426 -179.902 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -73.68 -26.96 13.2 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.55 2.167 . . . . 0.0 112.465 -179.938 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.0 t -111.8 68.15 0.66 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.001 0.429 . . . . 0.0 111.065 -179.913 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.6 m -135.29 -178.94 5.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.44 ' O ' ' CB ' ' A' ' 12' ' ' GLN . 5.9 ttt85 -129.52 43.32 3.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 179.991 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.44 ' CB ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER 87.0 -34.37 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.409 -179.991 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.1 t -169.13 33.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.761 0.315 . . . . 0.0 110.963 179.976 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.1 ttpt -166.45 146.49 6.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.858 179.95 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.804 HD11 ' C ' ' A' ' 36' ' ' SER . 0.1 OUTLIER -55.54 127.86 31.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.792 179.939 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.53 148.67 17.19 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.964 -179.904 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_exo -51.37 134.52 45.25 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.518 2.146 . . . . 0.0 112.342 -179.951 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.663 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -58.86 116.78 3.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.98 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.12 26.45 7.41 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.493 179.964 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.9 m -122.82 113.52 19.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.853 0.359 . . . . 0.0 110.838 -179.984 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 t -59.76 147.98 35.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 179.937 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 13.1 p -101.51 -32.36 10.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 8.3 t90 -131.12 110.13 10.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 179.973 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.01 141.05 51.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.36 35.04 0.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.972 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.544 ' O ' HG13 ' A' ' 27' ' ' VAL . 1.0 OUTLIER 60.32 34.14 20.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.952 -179.996 . . . . . . . . 3 3 . 1 . 043 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.544 HG13 ' O ' ' A' ' 26' ' ' SER . 5.7 m -159.03 -44.69 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.206 179.998 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.0 p -127.05 120.42 28.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.6 p -131.56 110.35 10.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -107.33 93.86 4.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -61.65 136.82 58.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.86 172.68 9.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 t -110.85 7.68 21.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.243 179.902 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.663 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 55.31 27.71 47.89 Favored Glycine 0 C--N 1.332 0.306 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.61 -179.966 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -124.51 -43.79 2.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.863 0.364 . . . . 0.0 111.038 -179.968 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.804 ' C ' HD11 ' A' ' 15' ' ' LEU . 19.6 m -130.9 148.74 52.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.963 -179.994 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.2 m -71.65 -22.02 61.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 179.92 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -79.85 108.38 13.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.7 m -59.77 147.17 79.33 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.31 177.58 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.565 2.176 . . . . 0.0 112.269 179.983 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.0 p -100.17 -31.29 11.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 54.6 p90 -87.66 160.41 47.45 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.2 -176.9 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.61 2.207 . . . . 0.0 112.309 179.952 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.328 -1.262 . . . . 0.0 112.462 -179.998 . . . . . . . . 0 0 . 1 . 044 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.762 0.315 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 044 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 5.0 ttt 60.34 161.95 0.05 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -67.56 152.12 46.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 71.6 m -143.45 116.21 8.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.96 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.9 p -70.56 66.07 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.791 179.931 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -58.21 88.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.018 -179.93 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.28 -174.41 20.75 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 -179.977 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.3 -25.65 18.34 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.622 2.215 . . . . 0.0 112.426 -179.945 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 m -98.05 24.57 6.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.162 -179.876 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 33.2 m -145.07 150.02 36.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.785 179.872 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.97 126.52 36.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.027 -179.945 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 68.14 -68.9 0.16 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.11 179.907 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.8 t -175.62 36.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.927 -179.873 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -148.77 131.63 16.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.795 179.994 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.405 HD11 ' HA ' ' A' ' 36' ' ' SER . 0.2 OUTLIER -51.87 119.02 3.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 179.96 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.789 ' HD2' HG21 ' A' ' 20' ' ' THR . 24.7 mtmt -51.05 163.41 0.51 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.038 -179.853 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_endo -62.09 139.83 80.7 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.554 2.169 . . . . 0.0 112.288 179.996 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.79 115.49 3.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.043 179.974 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.01 24.95 5.29 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 -179.982 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.789 HG21 ' HD2' ' A' ' 16' ' ' LYS . 25.4 m -95.83 115.9 28.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.795 0.331 . . . . 0.0 110.827 -179.985 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.701 HG21 ' OG ' ' A' ' 29' ' ' SER . 0.0 OUTLIER -63.85 120.77 12.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 -179.993 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.1 p -113.66 31.21 6.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.973 179.968 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -176.86 85.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -97.17 140.65 31.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.8 p -145.16 -77.71 0.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.2 t -177.1 -39.6 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.929 179.973 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.3 p -99.07 -32.82 3.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.06 180.0 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.26 -169.15 1.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.966 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.701 ' OG ' HG21 ' A' ' 21' ' ' THR . 0.2 OUTLIER -165.42 -43.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.952 179.973 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 59.48 107.64 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.928 179.929 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -98.09 150.84 21.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.6 t -82.72 160.8 22.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.998 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.5 t -101.87 4.55 40.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.355 179.955 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 54.78 24.21 32.48 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.714 -179.947 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 32.6 ttt180 -117.05 -39.48 3.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.84 0.352 . . . . 0.0 110.916 -179.952 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.405 ' HA ' HD11 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -144.0 154.49 43.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.828 179.984 . . . . . . . . 3 3 . 1 . 044 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.56 -24.84 62.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.926 179.983 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -63.02 97.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 60.7 m -57.92 109.71 1.99 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.93 -179.992 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -52.71 177.41 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.399 2.066 . . . . 0.0 112.307 179.955 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.9 p -108.28 39.66 1.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -105.45 87.94 2.4 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -69.35 122.72 9.51 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.529 2.153 . . . . 0.0 112.325 179.968 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.332 -1.26 . . . . 0.0 112.526 -179.98 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.75 0.309 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.71 89.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.781 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.42 152.74 20.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.61 -160.49 28.79 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.498 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.69 -44.24 0.3 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.692 2.261 . . . . 0.0 112.551 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -98.92 63.07 1.35 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.012 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.6 m -139.56 134.94 32.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 47.8 ttt180 -78.35 69.15 4.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.771 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 69.09 -67.54 0.21 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.054 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -136.21 34.79 2.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.876 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.6 mttm -158.62 173.13 17.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.522 HD21 ' HA ' ' A' ' 36' ' ' SER . 6.0 mt -73.69 122.82 22.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.849 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? -60.81 138.89 93.58 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.692 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -62.51 143.78 93.6 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.503 2.135 . . . . 0.0 112.265 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.463 ' HB2' ' C ' ' A' ' 33' ' ' THR . . . -53.7 140.33 29.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.237 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.78 -13.13 29.72 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.675 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.8 m -75.86 117.26 17.41 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.831 0.348 . . . . 0.0 110.913 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.578 HG23 ' CD1' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -61.83 145.01 53.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.922 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.2 p -160.59 30.28 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 24.7 t-105 -177.7 66.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.719 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -124.22 111.32 15.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.3 p -125.73 -167.25 1.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.826 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.68 -30.12 65.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.981 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.571 ' O ' HG12 ' A' ' 27' ' ' VAL . 15.9 t -133.17 31.39 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.083 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.76 154.52 40.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 97.1 p -176.62 89.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.957 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.47 ' O ' HG22 ' A' ' 21' ' ' THR . 45.2 m170 -116.75 -178.15 3.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.578 ' CD1' HG23 ' A' ' 21' ' ' THR . 32.6 m-85 -143.24 168.96 18.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -86.48 152.67 22.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.463 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 2.4 t -104.85 16.24 26.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.179 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.54 25.66 21.39 Favored Glycine 0 C--N 1.332 0.327 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.701 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.7 ttt180 -112.19 -34.4 5.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.804 0.335 . . . . 0.0 110.926 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.522 ' HA ' HD21 ' A' ' 15' ' ' LEU . 40.5 m -145.82 158.07 43.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.6 m -71.04 -26.91 63.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -77.82 138.13 38.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.958 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.08 136.34 82.16 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.26 161.22 46.8 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.46 2.106 . . . . 0.0 112.29 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.0 t -98.63 35.97 1.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -148.87 150.44 32.75 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.01 164.63 34.08 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.555 2.17 . . . . 0.0 112.306 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.426 -1.208 . . . . 0.0 112.502 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.1 m . . . . . 0 CA--C 1.529 0.173 0 CA-C-O 120.572 0.225 . . . . 0.0 111.561 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.657 HG22 ' SG ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER 58.0 89.43 0.05 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.819 0.342 . . . . 0.0 110.846 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.7 p -109.96 148.57 31.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.984 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.17 -166.43 32.08 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.391 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -84.53 43.97 1.42 Allowed 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.791 2.328 . . . . 0.0 112.735 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.403 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 18.4 t -177.07 36.59 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.879 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m -130.24 150.72 51.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.457 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.2 mtp180 -90.77 -90.84 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.956 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -119.69 -22.82 6.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.719 0.295 . . . . 0.0 111.012 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 37.2 t -177.79 36.65 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.759 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -167.06 148.1 5.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.926 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.825 HD11 ' HA ' ' A' ' 36' ' ' SER . 0.2 OUTLIER -57.51 121.66 10.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.874 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.28 150.95 50.67 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -65.38 148.74 88.42 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.592 2.195 . . . . 0.0 112.331 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.35 155.16 2.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.192 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.8 -20.73 47.31 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.537 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.3 m -70.75 112.57 7.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.843 0.354 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.55 HG23 ' CD2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -77.46 135.83 38.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.808 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.9 p -106.16 -31.92 8.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -143.78 103.88 4.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -142.36 137.26 30.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.7 p -137.81 38.54 2.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.525 ' O ' HG13 ' A' ' 27' ' ' VAL . 1.5 m 60.69 36.19 19.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.525 HG13 ' O ' ' A' ' 26' ' ' SER . 6.6 m -158.74 -44.84 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.8 m -133.8 78.99 1.8 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.1 m -71.2 134.53 46.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 20.3 m170 -119.9 80.28 1.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.55 ' CD2' HG23 ' A' ' 21' ' ' THR . 55.7 m-85 -68.68 159.82 31.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.1 m -92.01 143.67 26.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.6 p -96.56 9.96 39.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 50.47 25.95 9.31 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.803 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.1 mtt-85 -115.01 -36.2 4.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.873 0.368 . . . . 0.0 111.03 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.825 ' HA ' HD11 ' A' ' 15' ' ' LEU . 9.9 t -140.59 146.68 38.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.857 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.657 ' SG ' HG22 ' A' ' 5' ' ' THR . 0.5 OUTLIER -72.4 -20.52 61.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.92 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -92.52 116.15 28.74 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.817 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.3 m -59.87 148.74 75.61 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.57 176.02 7.96 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.581 2.188 . . . . 0.0 112.305 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.95 31.51 5.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 28.0 p90 -145.91 156.2 51.58 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.943 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.87 179.53 3.69 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.564 2.176 . . . . 0.0 112.255 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.421 -1.211 . . . . 0.0 112.514 -179.999 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.4 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.866 0.365 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.402 ' CG2' ' CB ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER 60.59 77.46 0.32 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.813 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.9 117.47 6.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.61 -178.84 47.51 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.497 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -69.33 -35.24 14.29 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.633 2.222 . . . . 0.0 112.285 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 25.9 t -66.41 -15.16 63.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.284 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 79.6 m -110.48 145.92 36.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.721 0.296 . . . . 0.0 110.767 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -71.32 -87.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.06 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -117.59 -22.88 7.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.672 0.273 . . . . 0.0 111.112 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 179.75 37.18 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.992 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.09 144.91 8.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.608 HD21 ' C ' ' A' ' 36' ' ' SER . 0.3 OUTLIER -57.93 117.28 4.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.813 ' CE ' HG21 ' A' ' 20' ' ' THR . 12.8 mtpp -57.75 156.97 16.02 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_exo -51.92 144.71 35.1 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.57 2.18 . . . . 0.0 112.355 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.25 111.16 0.99 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.099 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 133.38 -8.12 5.02 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.745 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.813 HG21 ' CE ' ' A' ' 16' ' ' LYS . 32.2 m -70.05 111.1 5.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.858 0.361 . . . . 0.0 110.872 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.717 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -75.58 144.2 41.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.2 m -100.22 -74.64 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 19.7 t90 -109.19 79.53 1.23 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.9 ptt180 -75.98 126.57 31.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.479 HG22 ' H ' ' A' ' 26' ' ' SER . 0.2 OUTLIER -148.54 -176.74 5.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.479 ' H ' HG22 ' A' ' 25' ' ' THR . 36.6 m -85.51 -31.48 22.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -93.46 -32.47 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.179 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.8 t -140.53 160.07 40.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.9 m -170.26 104.56 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.626 ' O ' HG22 ' A' ' 21' ' ' THR . 7.7 m170 -81.67 -178.93 7.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.717 ' CE2' HG23 ' A' ' 21' ' ' THR . 8.8 m-85 -159.22 161.91 36.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 63.5 m -102.01 122.64 44.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.756 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.7 p -94.67 21.49 7.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.97 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 49.63 26.37 7.59 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.821 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.8 mtt180 -120.63 -41.55 2.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.876 0.369 . . . . 0.0 111.0 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.608 ' C ' HD21 ' A' ' 15' ' ' LEU . 2.4 m -140.03 145.29 37.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.826 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.402 ' CB ' ' CG2' ' A' ' 5' ' ' THR . 0.8 OUTLIER -71.89 -20.5 61.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.965 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -74.4 91.17 2.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.808 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.4 m -55.82 108.96 1.35 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.002 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.402 ' O ' ' CG ' ' A' ' 30' ' ' HIS . 53.4 Cg_exo -52.43 170.87 0.23 Allowed 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.445 2.097 . . . . 0.0 112.295 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.1 t -114.92 69.92 0.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -121.14 87.6 44.22 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.01 116.25 2.67 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.597 2.198 . . . . 0.0 112.293 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.368 -1.24 . . . . 0.0 112.496 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.53 0.176 0 CA-C-O 120.764 0.316 . . . . 0.0 110.805 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 65.97 106.28 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.972 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.15 146.87 29.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.82 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.16 -154.33 25.46 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.631 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -77.45 -45.43 0.16 Allowed 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.716 2.277 . . . . 0.0 112.752 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.7 t -94.8 55.67 1.91 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.968 0.413 . . . . 0.0 111.174 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.1 m -137.62 109.55 7.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.973 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.8 ttt-85 -73.34 98.95 2.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.493 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 70.97 -65.75 0.33 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.597 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -166.14 42.42 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.606 179.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -155.76 157.11 35.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.803 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.695 HD21 ' N ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -59.91 119.26 7.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.7 mmtp -59.28 159.12 16.67 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -66.07 144.45 75.82 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.52 2.147 . . . . 0.0 112.335 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.87 157.58 12.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.073 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 65.25 22.75 69.43 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.539 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.9 m -114.8 128.51 56.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.789 0.328 . . . . 0.0 110.829 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.79 144.18 49.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.9 p -125.62 -43.51 1.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 15.7 t90 -114.32 84.7 2.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -65.99 166.17 11.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.477 HG22 ' H ' ' A' ' 26' ' ' SER . 0.2 OUTLIER -160.03 -176.97 5.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.477 ' H ' HG22 ' A' ' 25' ' ' THR . 1.5 m -74.49 -31.42 62.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.562 HG22 ' O ' ' A' ' 27' ' ' VAL . 12.3 p -159.71 49.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.04 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -151.24 -78.11 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.0 m 60.26 110.46 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -87.7 150.63 23.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -108.62 162.68 13.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.93 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 m -111.92 169.39 8.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.48 HG22 ' CZ ' ' A' ' 42' ' ' TYR . 6.5 p -118.77 16.28 13.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.207 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.39 24.94 18.42 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.684 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -116.08 -35.6 4.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.758 0.314 . . . . 0.0 111.06 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.559 ' C ' HD21 ' A' ' 15' ' ' LEU . 1.4 m -139.51 153.48 47.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.044 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.695 ' N ' HD21 ' A' ' 15' ' ' LEU . 1.0 OUTLIER -71.62 -24.22 61.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.967 179.857 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -79.48 156.8 27.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.14 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.5 m -113.39 95.55 36.27 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.623 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -67.96 66.67 0.93 Allowed 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.471 2.114 . . . . 0.0 112.618 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 43.55 30.92 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.674 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.48 ' CZ ' HG22 ' A' ' 33' ' ' THR . 0.1 OUTLIER -59.66 110.63 2.92 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.871 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.53 -176.28 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.403 2.069 . . . . 0.0 112.293 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.407 -1.218 . . . . 0.0 112.506 -179.93 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 57.3 m . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.881 0.372 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 62.3 p -72.24 105.91 4.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.778 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.85 154.79 18.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.014 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.34 -170.83 24.9 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.489 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.62 -38.45 5.9 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.563 2.175 . . . . 0.0 112.403 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.406 ' CB ' ' HA ' ' A' ' 37' ' ' CYS . 0.9 OUTLIER -89.11 53.69 2.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.041 0.448 . . . . 0.0 110.85 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 179.17 127.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.718 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -61.21 -88.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.035 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -122.9 -19.64 6.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.629 0.252 . . . . 0.0 111.401 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.8 t -177.01 36.0 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.094 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -151.73 124.71 8.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.807 0.336 . . . . 0.0 110.768 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.437 HD21 ' HA ' ' A' ' 36' ' ' SER . 9.3 mt -51.78 110.86 0.51 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.753 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.5 mttt -47.85 147.92 3.08 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.042 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.62 135.02 37.36 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.495 2.13 . . . . 0.0 112.448 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.451 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -57.01 119.28 6.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.99 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.45 17.78 7.44 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.551 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 86.7 m -113.68 113.97 25.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.792 0.329 . . . . 0.0 110.783 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.749 HG22 ' H ' ' A' ' 30' ' ' HIS . 0.0 OUTLIER -61.56 135.74 57.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.829 -179.878 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.5 p -108.83 -40.61 4.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.427 ' CD1' ' HB3' ' A' ' 28' ' ' SER . 16.3 t-105 -112.36 82.49 1.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.844 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -148.63 76.76 1.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.2 t -74.95 -33.06 61.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -177.23 -40.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -111.55 -31.65 2.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.1 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.427 ' HB3' ' CD1' ' A' ' 23' ' ' TRP . 31.5 m -73.58 173.87 9.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.404 ' O ' ' CD2' ' A' ' 30' ' ' HIS . 0.4 OUTLIER -176.62 124.21 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.94 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.749 ' H ' HG22 ' A' ' 21' ' ' THR . 35.6 m-70 -150.49 93.32 1.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.718 ' CD1' HG23 ' A' ' 21' ' ' THR . 4.3 m-85 -65.27 150.12 48.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 9.0 t -86.53 143.4 27.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.7 p -93.69 6.6 47.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.245 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.451 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 46.86 56.48 7.53 Favored Glycine 0 C--N 1.333 0.396 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.855 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 32.0 mtp85 -154.86 -45.82 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.904 0.383 . . . . 0.0 111.192 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.437 ' HA ' HD21 ' A' ' 15' ' ' LEU . 44.1 t -136.98 157.82 45.86 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.058 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.406 ' HA ' ' CB ' ' A' ' 9' ' ' CYS . 51.9 m -71.93 -25.97 62.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -66.29 93.96 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.834 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.91 156.33 26.3 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.95 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -51.96 148.65 22.7 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.63 2.22 . . . . 0.0 112.293 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 79.4 p -83.67 -31.57 26.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 20.9 p90 -104.26 151.04 39.01 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.18 126.93 21.83 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.561 2.174 . . . . 0.0 112.295 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.029 0 CA-C-O 118.443 -1.198 . . . . 0.0 112.51 -179.987 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 65.4 m . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.863 0.363 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.7 m -78.33 69.23 4.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.71 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -48.34 116.49 1.58 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.305 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.86 179.33 44.39 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.357 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -69.22 -25.28 31.24 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.587 2.191 . . . . 0.0 112.389 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -100.28 30.19 3.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -127.54 159.52 34.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.754 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.8 mtp85 -120.17 80.54 1.62 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.711 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 70.96 -64.12 0.39 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -154.35 27.87 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.957 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.5 tttt -148.73 139.29 22.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.784 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 mt -54.19 122.43 10.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.8 151.8 30.34 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.866 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo -51.57 134.65 46.87 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.54 2.16 . . . . 0.0 112.397 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.675 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -58.87 116.71 3.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.87 25.65 7.47 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.586 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.4 m -111.33 111.38 22.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 0.0 110.864 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 t -54.58 155.07 4.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.027 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.7 p -107.25 -40.29 5.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.937 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 18.0 t90 -98.78 -74.53 0.58 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 58.26 104.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.76 -36.23 5.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.4 p -178.7 -39.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.899 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.591 HG22 ' O ' ' A' ' 27' ' ' VAL . 13.4 p -153.68 45.19 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.008 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.402 ' O ' ' CD2' ' A' ' 30' ' ' HIS . 0.3 OUTLIER -142.18 33.71 1.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.92 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.5 m -66.25 85.56 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.402 ' CD2' ' O ' ' A' ' 28' ' ' SER . 36.1 m170 -60.18 -33.63 72.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 62.65 136.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.009 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.4 t -78.08 171.91 14.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.5 HG23 ' HB2' ' A' ' 35' ' ' ARG . 1.7 t -113.58 10.6 18.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.298 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.675 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 55.19 25.18 38.84 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.732 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.5 ' HB2' HG23 ' A' ' 33' ' ' THR . 6.3 mtt-85 -109.82 -68.13 0.94 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.988 0.423 . . . . 0.0 110.802 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.7 t -109.46 172.49 6.82 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.756 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 66.7 m -105.67 19.07 21.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.052 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.32 83.59 1.86 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.677 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.0 t -48.76 105.75 0.54 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.224 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.89 177.95 5.15 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.436 2.09 . . . . 0.0 112.288 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.9 m -94.37 45.56 1.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -83.69 161.14 57.06 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.97 177.46 5.7 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.615 2.21 . . . . 0.0 112.315 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.365 -1.242 . . . . 0.0 112.496 179.952 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 CA--C 1.528 0.132 0 CA-C-O 120.479 0.181 . . . . 0.0 111.319 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.3 t 43.48 88.52 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.904 0.383 . . . . 0.0 111.331 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -79.56 164.58 23.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.007 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.22 176.71 15.28 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.506 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.62 -25.4 20.85 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.581 2.187 . . . . 0.0 112.441 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -94.19 46.24 1.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.992 0.425 . . . . 0.0 110.96 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.2 m -126.19 163.52 22.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.736 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.437 ' O ' ' HB2' ' A' ' 12' ' ' GLN . 0.3 OUTLIER -92.66 -29.99 15.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.993 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.437 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 11.8 tm0? 170.88 -30.21 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.959 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -164.71 31.46 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.798 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.5 mttp -172.36 172.56 4.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.744 HD11 ' O ' ' A' ' 35' ' ' ARG . 0.3 OUTLIER -59.73 139.12 57.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.478 ' CE ' HG21 ' A' ' 20' ' ' THR . 9.0 tttt -83.11 145.81 50.07 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.808 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.55 142.19 49.93 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.504 2.136 . . . . 0.0 112.33 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.52 109.31 0.87 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.077 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.64 23.28 4.77 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.63 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.478 HG21 ' CE ' ' A' ' 16' ' ' LYS . 21.5 m -108.14 115.07 29.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.819 0.342 . . . . 0.0 110.78 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.01 149.33 27.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.964 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 56.3 m -84.38 -45.59 12.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.405 ' CZ3' HG21 ' A' ' 25' ' ' THR . 29.2 t90 -154.53 81.08 1.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -68.88 133.58 48.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.434 HG23 HG22 ' A' ' 27' ' ' VAL . 8.9 t -162.84 33.59 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.6 t 78.17 -56.47 0.48 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.077 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.434 HG22 HG23 ' A' ' 25' ' ' THR . 18.3 m -81.23 -32.16 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.113 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 t -107.56 146.68 31.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.9 m -173.46 79.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -106.43 97.58 7.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -73.29 137.3 44.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 94.0 m -71.25 155.63 40.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.7 p -102.78 14.55 31.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.195 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 50.03 26.04 8.3 Favored Glycine 0 C--N 1.333 0.373 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.798 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.744 ' O ' HD11 ' A' ' 15' ' ' LEU . 3.8 tpp85 -118.15 -38.24 3.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.834 0.35 . . . . 0.0 111.049 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.406 ' N ' HD21 ' A' ' 15' ' ' LEU . 2.1 m -141.59 172.59 12.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.829 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -102.56 16.47 26.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.098 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -110.65 107.37 16.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.54 147.88 67.97 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.947 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.48 177.11 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.539 2.159 . . . . 0.0 112.313 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.4 t -102.7 -32.02 10.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 18.4 p90 -98.12 161.1 26.62 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.18 144.21 39.25 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.561 2.174 . . . . 0.0 112.33 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.398 -1.223 . . . . 0.0 112.521 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.922 0.391 . . . . 0.0 110.815 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.568 HG22 ' HB2' ' A' ' 37' ' ' CYS . 0.2 OUTLIER 66.09 109.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.87 129.03 56.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.65 -168.89 41.47 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.474 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.43 -26.62 20.13 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.632 2.221 . . . . 0.0 112.39 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 36.9 t -98.74 10.45 41.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.426 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 94.0 m -116.19 143.31 45.67 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.85 0.357 . . . . 0.0 110.897 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.1 ttt85 -95.68 98.74 10.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.806 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 69.18 -68.34 0.19 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -159.44 37.27 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.693 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.5 tttm -152.05 145.6 24.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.752 HD21 ' N ' ' A' ' 36' ' ' SER . 0.2 OUTLIER -57.83 121.69 11.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.3 mttt -57.17 156.28 14.83 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.956 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.53 145.17 75.68 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.578 2.185 . . . . 0.0 112.306 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.27 115.65 5.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.041 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.77 22.2 5.11 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.615 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.441 HG22 ' H ' ' A' ' 21' ' ' THR . 2.1 m -101.16 169.56 8.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.841 0.353 . . . . 0.0 110.77 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.441 ' H ' HG22 ' A' ' 20' ' ' THR . 0.0 OUTLIER -86.58 170.2 12.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.8 t -151.59 -46.95 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.435 ' HB3' ' CD2' ' A' ' 30' ' ' HIS . 0.1 OUTLIER -131.1 92.03 3.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.689 ' O ' HG23 ' A' ' 25' ' ' THR . 34.6 mtp180 -93.88 135.44 35.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.689 HG23 ' O ' ' A' ' 24' ' ' ARG . 0.8 OUTLIER -168.96 -176.83 2.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.6 m -98.26 35.64 1.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -151.99 -45.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.157 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.6 m -131.96 169.45 16.29 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.5 t -151.37 95.58 2.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.435 ' CD2' ' HB3' ' A' ' 23' ' ' TRP . 13.3 m-70 -80.65 138.23 36.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -122.23 147.52 46.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.6 m -92.42 133.66 35.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.0 t -92.02 12.47 21.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.284 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 49.96 26.85 9.05 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.752 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.0 ttt-85 -102.77 -35.63 8.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.358 . . . . 0.0 110.95 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.752 ' N ' HD21 ' A' ' 15' ' ' LEU . 74.6 m -160.82 167.92 25.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.568 ' HB2' HG22 ' A' ' 5' ' ' THR . 0.1 OUTLIER -72.14 -29.5 64.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.28 90.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.961 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.1 t -59.01 109.6 2.01 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.5 170.25 16.7 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.403 2.068 . . . . 0.0 112.326 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.6 t -115.18 70.15 0.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -114.93 86.33 13.25 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.17 112.75 0.94 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.576 2.184 . . . . 0.0 112.335 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.082 0 CA-C-O 118.414 -1.214 . . . . 0.0 112.484 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.848 0.356 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.484 HG22 ' HA ' ' A' ' 14' ' ' LYS . 10.2 t -72.76 161.78 30.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.4 p -123.14 155.38 37.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.48 179.81 17.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.53 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -79.8 -15.35 12.08 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.71 2.273 . . . . 0.0 112.999 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.417 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 35.4 t -93.85 18.62 10.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.672 0.272 . . . . 0.0 111.523 -179.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.2 p -138.95 166.48 24.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.759 0.314 . . . . 0.0 110.733 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.34 46.33 1.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.054 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.1 mm100 69.12 7.91 6.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.646 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -151.12 -46.57 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.725 0.297 . . . . 0.0 110.935 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.484 ' HA ' HG22 ' A' ' 5' ' ' THR . 1.3 mmmp? -143.21 158.04 43.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.678 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.756 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -44.3 154.67 0.11 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.175 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.7 mttm -89.6 172.15 7.69 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.696 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo -51.01 131.94 36.46 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.481 2.121 . . . . 0.0 112.283 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.37 108.46 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.19 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 136.55 -10.84 4.04 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.732 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.74 174.85 0.42 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.816 0.341 . . . . 0.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.494 HG21 ' HD3' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -110.93 154.28 24.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.96 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.0 t -125.65 89.82 3.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER 62.45 117.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.494 ' HD3' HG21 ' A' ' 21' ' ' THR . 34.9 mtp180 -144.7 93.08 2.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.2 t -94.42 -36.43 11.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.987 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.7 m -178.76 -39.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.923 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.4 p -113.31 -34.48 2.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.16 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -64.77 81.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.7 p -99.81 79.99 2.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -104.78 -178.36 3.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -156.55 165.55 35.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.3 m -103.68 122.46 45.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.613 HG23 ' HG3' ' A' ' 35' ' ' ARG . 1.4 t -73.32 -6.57 46.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.338 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 63.87 19.72 63.56 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.897 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.613 ' HG3' HG23 ' A' ' 33' ' ' THR . 2.3 ppt_? -114.65 -30.99 6.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.785 0.326 . . . . 0.0 110.991 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.717 ' HA ' HD12 ' A' ' 15' ' ' LEU . 1.7 m -155.75 148.17 23.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.592 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.417 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 18.0 t -73.43 -19.66 60.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.185 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -57.88 89.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.842 0.353 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.86 109.45 1.72 Allowed Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.13 174.19 0.1 OUTLIER 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.418 2.078 . . . . 0.0 112.351 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.4 m -94.95 -31.69 13.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -74.41 149.59 86.67 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.1 -27.06 25.31 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.553 2.169 . . . . 0.0 112.332 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.092 0 CA-C-O 118.443 -1.198 . . . . 0.0 112.54 -179.975 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.405 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.857 0.36 . . . . 0.0 110.86 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.7 p -87.33 173.89 8.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.82 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.67 136.94 36.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.043 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.408 ' HA3' ' HB3' ' A' ' 37' ' ' CYS . . . 149.89 166.17 13.13 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.457 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.53 61.12 6.0 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.611 2.208 . . . . 0.0 112.648 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -179.04 43.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.928 179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -168.14 131.28 1.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.87 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.1 ttt85 -60.23 106.48 0.53 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.417 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 67.72 -73.08 0.09 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.948 0.404 . . . . 0.0 110.136 -179.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.405 ' HB2' ' HB3' ' A' ' 4' ' ' CYS . 14.1 p -156.05 29.53 0.35 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.735 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -126.31 127.48 45.62 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.952 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.501 HD21 ' CA ' ' A' ' 36' ' ' SER . 36.3 mt -44.69 116.68 1.11 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.389 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.11 155.89 23.04 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.689 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -58.58 130.38 36.94 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.567 2.178 . . . . 0.0 112.257 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.1 113.01 0.89 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.7 26.74 4.06 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.441 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.2 m -125.66 119.1 27.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.803 0.335 . . . . 0.0 110.766 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.816 HG23 ' O ' ' A' ' 30' ' ' HIS . 0.2 OUTLIER -58.68 156.42 10.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.991 -179.871 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.9 p -103.81 -43.96 5.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.954 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -94.63 -43.3 8.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? 57.45 79.82 0.18 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.962 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.46 HG22 ' H ' ' A' ' 26' ' ' SER . 0.2 OUTLIER -135.6 -173.54 3.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.46 ' H ' HG22 ' A' ' 25' ' ' THR . 32.8 m -79.35 -31.33 42.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -102.09 -30.63 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.11 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -93.93 106.04 18.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.7 m -116.73 31.54 6.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.816 ' O ' HG23 ' A' ' 21' ' ' THR . 34.2 m-70 -60.9 -172.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.406 ' CD1' ' O ' ' A' ' 30' ' ' HIS . 27.2 m-85 -164.73 154.95 14.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.47 132.03 35.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.753 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.9 p -94.57 17.31 13.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 48.54 27.22 5.78 Favored Glycine 0 C--N 1.332 0.347 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.805 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -120.94 -41.67 2.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.887 0.375 . . . . 0.0 111.015 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.501 ' CA ' HD21 ' A' ' 15' ' ' LEU . 3.1 m -140.69 148.35 40.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.868 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.408 ' HB3' ' HA3' ' A' ' 7' ' ' GLY . 84.1 m -72.48 -20.94 61.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.001 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -72.95 101.63 3.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.77 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.45 146.51 63.53 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -53.11 177.64 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.487 2.125 . . . . 0.0 112.274 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.2 p -124.33 31.61 5.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.837 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -121.79 88.05 46.92 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo -51.79 106.04 0.13 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.559 2.173 . . . . 0.0 112.315 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.553 179.963 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.3 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.838 0.352 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 66.6 p -62.21 167.76 3.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.964 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.1 p -155.85 114.59 3.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.23 -166.3 39.41 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.565 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -78.07 -38.04 0.7 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.696 2.264 . . . . 0.0 112.732 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.81 -37.75 73.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.018 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 15' ' ' LEU . 30.7 p -99.06 152.14 20.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.708 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 mtt-85 -69.62 -88.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.936 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -133.36 -19.97 2.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.248 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.0 m -135.13 -27.93 1.2 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -179.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.46 164.23 30.89 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.02 0.438 . . . . 0.0 111.387 -179.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.697 HD22 ' C ' ' A' ' 35' ' ' ARG . 3.4 pp -54.55 144.11 22.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.841 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.891 ' HD2' HG21 ' A' ' 20' ' ' THR . 21.9 mttt -80.25 160.46 67.95 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.62 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_exo -51.32 136.47 47.06 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.535 2.157 . . . . 0.0 112.267 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.61 111.93 0.62 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.189 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.46 -8.22 4.65 Favored Glycine 0 CA--C 1.52 0.354 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.691 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.891 HG21 ' HD2' ' A' ' 16' ' ' LYS . 2.5 m -74.4 115.92 14.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.824 0.345 . . . . 0.0 110.706 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.408 HG23 ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -66.57 153.27 43.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.063 -179.793 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -92.31 -67.97 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.919 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.401 ' CE2' ' OG1' ' A' ' 25' ' ' THR . 18.4 t90 -96.4 -70.17 0.73 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 60.7 95.33 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.401 ' OG1' ' CE2' ' A' ' 23' ' ' TRP . 0.2 OUTLIER -107.0 -32.81 7.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -174.55 -77.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -93.73 -31.14 4.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.091 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -87.9 127.5 35.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.2 m -134.91 130.3 35.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.4 ' CE1' ' HG3' ' A' ' 43' ' ' PRO . 23.4 m-70 -105.35 78.39 1.37 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.408 ' CD1' HG23 ' A' ' 21' ' ' THR . 64.6 m-85 -63.78 141.28 58.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 11.8 t -86.92 133.6 33.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.812 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.0 t -76.59 -4.95 45.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.411 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.572 ' C ' HD13 ' A' ' 15' ' ' LEU . . . 63.38 28.29 72.1 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.361 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.697 ' C ' HD22 ' A' ' 15' ' ' LEU . 44.0 ttt-85 -105.38 -30.23 9.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.748 0.309 . . . . 0.0 110.927 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.1 p -166.68 163.91 16.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.939 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 18.3 t -72.38 -24.06 61.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.008 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.45 85.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.846 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.55 109.03 1.41 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.67 177.46 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.445 2.097 . . . . 0.0 112.322 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 m -118.03 36.79 4.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -114.49 87.56 14.26 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.4 ' HG3' ' CE1' ' A' ' 30' ' ' HIS . 53.8 Cg_exo -52.18 124.72 15.51 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.572 2.181 . . . . 0.0 112.272 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.081 0 CA-C-O 118.398 -1.223 . . . . 0.0 112.506 179.95 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.715 0.293 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.67 HG22 ' SG ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER 61.01 105.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.866 179.913 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.585 HG22 ' C ' ' A' ' 12' ' ' GLN . 18.8 p -125.56 135.57 52.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.0 -162.13 26.91 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.579 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.0 -61.45 0.43 Allowed 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.642 2.228 . . . . 0.0 112.385 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.5 m -90.72 51.29 1.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.024 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -146.62 153.65 40.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.685 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 -95.71 33.99 1.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.585 ' C ' HG22 ' A' ' 6' ' ' THR . 2.0 tp60 69.32 9.82 7.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.414 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -179.38 -32.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.422 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.32 138.58 54.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.801 0.334 . . . . 0.0 110.891 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.528 HD22 ' C ' ' A' ' 35' ' ' ARG . 33.6 mt -50.78 126.07 14.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.697 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.4 ' HD3' HG21 ' A' ' 20' ' ' THR . 0.0 OUTLIER -52.48 154.52 4.42 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.799 -179.861 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -55.83 121.33 9.77 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.547 2.165 . . . . 0.0 112.239 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.47 119.86 2.6 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.307 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.403 ' O ' ' CD2' ' A' ' 31' ' ' TYR . . . 107.59 23.43 6.88 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.264 -179.651 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.4 HG21 ' HD3' ' A' ' 16' ' ' LYS . 86.8 m -106.45 113.72 27.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.828 0.346 . . . . 0.0 110.777 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 t -53.28 155.84 2.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.8 t -105.54 -38.27 6.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 21.0 t90 -141.4 90.22 2.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -113.97 158.61 20.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -161.74 -44.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -177.66 -39.42 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.969 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.2 p -111.25 -32.76 2.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.53 153.0 27.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.1 p -176.52 109.22 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 29.0 m-70 -130.45 81.17 1.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 19' ' ' GLY . 27.4 m-85 -59.21 116.67 4.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.2 m -66.82 173.49 3.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.0 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.95 7.36 29.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.337 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 56.95 28.18 57.65 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.581 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.528 ' C ' HD22 ' A' ' 15' ' ' LEU . 1.6 mmt85 -103.88 -32.82 9.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.774 0.321 . . . . 0.0 110.889 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.429 ' CA ' HD22 ' A' ' 15' ' ' LEU . 8.3 m -143.95 165.76 26.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.958 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.67 ' SG ' HG22 ' A' ' 5' ' ' THR . 52.1 m -71.07 -30.52 66.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.79 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -67.25 172.37 4.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.8 p -144.86 90.14 6.39 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -68.76 177.68 4.66 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.549 2.166 . . . . 0.0 112.261 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.1 m -85.01 57.23 4.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -110.22 87.28 5.94 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.62 151.8 69.9 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.565 2.177 . . . . 0.0 112.354 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.407 -1.218 . . . . 0.0 112.542 179.985 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.528 0.097 0 CA-C-O 120.62 0.248 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.1 t 43.52 93.22 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.511 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.83 HG22 ' O ' ' A' ' 12' ' ' GLN . 16.2 p -106.72 141.91 37.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.64 -176.78 39.7 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -55.0 -34.96 88.82 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.655 2.236 . . . . 0.0 112.431 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.4 ' HB2' ' HA ' ' A' ' 37' ' ' CYS . 1.2 m -91.24 11.5 23.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.39 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 55.9 m -132.41 136.77 47.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.841 0.353 . . . . 0.0 110.931 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 68.6 mtt-85 -59.24 -37.09 76.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.013 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.83 ' O ' HG22 ' A' ' 6' ' ' THR . 0.4 OUTLIER 166.12 -29.26 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.317 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -152.39 26.93 0.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.055 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.6 tptt -171.41 146.11 2.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.815 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.57 HD22 ' C ' ' A' ' 35' ' ' ARG . 8.1 mt -56.39 122.19 11.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -54.92 158.09 4.98 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.837 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_exo -51.28 122.57 10.33 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.52 2.147 . . . . 0.0 112.338 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -48.81 111.87 0.53 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.263 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.8 21.09 6.16 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.464 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.5 m -104.21 121.73 43.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.809 0.337 . . . . 0.0 110.742 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 t -54.56 123.99 14.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.104 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.8 p -107.42 -31.29 8.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.473 ' CZ3' HG21 ' A' ' 25' ' ' THR . 0.2 OUTLIER -102.71 68.09 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.808 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.8 103.71 0.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.948 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.473 HG21 ' CZ3' ' A' ' 23' ' ' TRP . 20.2 p -102.73 -15.31 16.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.214 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.9 t 65.44 43.51 3.41 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.914 0.388 . . . . 0.0 110.741 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.1 p -178.82 -37.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.189 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.49 -36.91 7.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.944 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.9 m 59.81 109.36 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.951 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.433 ' CG ' ' HB3' ' A' ' 23' ' ' TRP . 5.7 m170 -93.52 -177.03 4.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -154.64 116.33 4.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 9.7 t -75.6 160.56 29.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 t -99.21 4.24 46.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.433 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.36 25.99 20.99 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.707 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.57 ' C ' HD22 ' A' ' 15' ' ' LEU . 6.1 ttm180 -116.15 -38.77 3.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.86 0.362 . . . . 0.0 110.967 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.418 ' N ' HD22 ' A' ' 15' ' ' LEU . 25.0 t -138.99 152.39 47.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.961 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.4 ' HA ' ' HB2' ' A' ' 9' ' ' CYS . 0.1 OUTLIER -73.08 -22.27 60.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.082 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -62.23 86.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.8 t -55.78 108.77 1.29 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.17 177.52 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.417 2.078 . . . . 0.0 112.339 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.7 m -128.97 41.87 3.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -113.81 88.87 14.82 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.918 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -51.62 164.25 0.99 Allowed 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.573 2.182 . . . . 0.0 112.347 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.385 -1.23 . . . . 0.0 112.509 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 65.0 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.835 0.35 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.7 m -77.11 63.6 2.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.667 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -49.28 104.81 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.22 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.43 171.76 35.29 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.373 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_exo -51.76 -24.63 18.61 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.592 2.195 . . . . 0.0 112.401 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -109.9 25.56 11.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.105 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -136.72 98.14 3.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.922 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -110.83 129.54 55.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.771 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 64.62 14.25 8.87 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.317 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.1 t 73.92 43.49 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.869 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.8 mmtt -139.68 110.66 6.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.392 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.756 HD11 ' C ' ' A' ' 35' ' ' ARG . 1.3 tt -45.85 105.45 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.025 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.5 mmtm -47.15 150.26 1.49 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.213 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.1 141.4 58.0 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.556 2.171 . . . . 0.0 112.433 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.666 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -60.27 148.78 35.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.401 ' O ' ' CD2' ' A' ' 31' ' ' TYR . . . 75.92 8.63 84.94 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.783 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.3 m -107.8 113.05 26.02 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.851 0.357 . . . . 0.0 110.805 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.3 t -57.04 152.43 13.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.032 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.1 p -99.06 -37.41 9.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 24.5 t90 -128.83 104.42 7.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -115.74 166.89 11.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.744 HG23 HG12 ' A' ' 27' ' ' VAL . 4.2 t -172.25 36.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m 60.77 36.79 19.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.744 HG12 HG23 ' A' ' 25' ' ' THR . 12.3 p -178.32 -38.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 35.8 m -101.06 140.47 35.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.1 m -165.31 122.03 1.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -104.24 -32.33 9.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.401 ' CD2' ' O ' ' A' ' 19' ' ' GLY . 10.4 m-85 62.42 126.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.64 172.73 12.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.773 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.4 p -121.23 19.26 11.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.069 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.666 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 49.74 26.12 7.64 Favored Glycine 0 C--N 1.332 0.312 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.781 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.756 ' C ' HD11 ' A' ' 15' ' ' LEU . 12.8 ttm180 -118.64 -38.29 3.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.842 0.353 . . . . 0.0 111.01 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.473 ' N ' HD11 ' A' ' 15' ' ' LEU . 1.9 m -141.29 173.17 11.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 66.1 m -107.51 20.12 19.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.038 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -115.71 94.76 4.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.801 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.6 m -54.18 108.34 1.11 Allowed Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.056 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -52.09 177.62 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.469 2.112 . . . . 0.0 112.299 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.0 m -96.96 39.77 1.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -105.85 87.42 2.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.75 113.41 3.36 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.551 2.167 . . . . 0.0 112.328 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.088 0 CA-C-O 118.385 -1.231 . . . . 0.0 112.544 179.968 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.404 ' CB ' ' HA ' ' A' ' 13' ' ' CYS . 1.9 m . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.832 0.349 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 51.8 p -56.83 173.06 0.22 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.978 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.4 p -155.06 126.07 7.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.936 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.61 -176.16 27.54 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.518 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -73.78 -29.5 10.42 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.598 2.199 . . . . 0.0 112.536 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 35.2 t -93.87 46.64 1.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.966 0.412 . . . . 0.0 110.98 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.6 p -178.72 159.34 1.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.52 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -92.58 35.1 1.03 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.117 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 63.2 12.61 6.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.449 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.404 ' HA ' ' CB ' ' A' ' 4' ' ' CYS . 1.3 m -159.16 -38.54 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.625 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.5 mmmt -130.41 128.31 41.1 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.762 0.315 . . . . 0.0 110.762 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.916 HD11 ' HA ' ' A' ' 36' ' ' SER . 0.0 OUTLIER -45.95 129.75 9.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.618 179.851 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.669 ' HD3' HG21 ' A' ' 20' ' ' THR . 28.8 mttt -56.65 166.32 1.34 Allowed Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.686 -179.542 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -64.91 128.25 20.38 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.397 2.064 . . . . 0.0 112.315 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.717 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -53.69 101.48 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.072 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.48 -16.17 2.26 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.562 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.669 HG21 ' HD3' ' A' ' 16' ' ' LYS . 0.3 OUTLIER -57.31 174.61 0.19 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.798 0.332 . . . . 0.0 110.748 179.911 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.482 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -118.55 146.52 44.51 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.2 t -104.01 -64.2 1.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -127.15 145.38 50.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.9 101.84 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.7 p -112.12 -35.14 5.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.4 p -178.3 -39.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.934 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.4 p -109.2 -32.84 2.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.166 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.5 m -85.81 157.69 20.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.31 78.5 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 15.1 m170 -89.65 143.44 26.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.482 ' CE2' HG23 ' A' ' 21' ' ' THR . 35.7 m-85 -119.32 162.92 17.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.951 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.2 m -92.36 122.92 35.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.761 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.8 t -81.84 2.77 28.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.219 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.717 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 54.85 22.36 26.53 Favored Glycine 0 C--N 1.332 0.35 0 C-N-CA 120.594 -0.813 . . . . 0.0 112.674 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.7 mtt85 -115.16 -35.62 4.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.831 0.348 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.916 ' HA ' HD11 ' A' ' 15' ' ' LEU . 7.6 m -150.04 141.13 23.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.615 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 48.1 t -70.7 -20.01 62.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.826 0.346 . . . . 0.0 110.832 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.11 98.86 0.82 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.751 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 36.0 m -54.53 108.19 1.08 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.063 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.419 ' HB2' ' CD1' ' A' ' 42' ' ' TYR . 53.3 Cg_endo -69.37 177.32 5.43 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.447 2.098 . . . . 0.0 112.329 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.8 m -102.62 37.4 1.93 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.419 ' CD1' ' HB2' ' A' ' 40' ' ' PRO . 45.0 m-85 -114.42 87.51 14.0 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.07 148.72 23.17 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.59 2.193 . . . . 0.0 112.306 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.082 0 CA-C-O 118.356 -1.247 . . . . 0.0 112.476 -180.0 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 56.6 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.884 0.373 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.9 p -66.91 99.72 0.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.83 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 71.5 p -71.55 130.14 40.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.026 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.99 164.28 12.61 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.489 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.57 -40.69 5.3 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.53 2.153 . . . . 0.0 112.346 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -58.81 -26.44 64.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.007 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 61.2 m -92.07 166.86 12.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.984 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.84 45.04 1.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.63 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 75.98 3.54 3.75 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.624 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 50.2 t -177.79 -38.07 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.606 0.241 . . . . 0.0 111.549 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.2 ttmt -122.72 137.35 54.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.881 0.372 . . . . 0.0 111.08 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.588 HD22 ' N ' ' A' ' 36' ' ' SER . 5.3 mt -48.07 123.87 6.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.056 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.8 mttm -59.07 157.44 21.54 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.747 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_exo -51.22 123.41 11.91 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.523 2.148 . . . . 0.0 112.309 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.2 111.63 0.43 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.278 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.27 17.85 6.51 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.559 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.9 m -114.57 114.39 25.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.754 0.311 . . . . 0.0 110.761 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.3 t -55.13 128.96 36.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 21.3 p -76.65 -34.62 58.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.929 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 24.4 t90 -131.51 107.2 8.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.437 ' O ' HG23 ' A' ' 25' ' ' THR . 22.0 ptt-85 -104.25 152.86 21.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.437 HG23 ' O ' ' A' ' 24' ' ' ARG . 21.5 p -157.38 -77.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.93 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.3 p -176.95 -39.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.906 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.9 m -129.51 31.02 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.132 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.1 t -171.65 123.07 0.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.9 m -161.89 161.8 28.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 25.0 m-70 -149.65 107.99 3.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -59.55 135.23 57.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 9.0 t -82.52 141.63 32.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.846 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 73.8 p -86.2 0.87 52.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.344 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.39 23.9 14.85 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.841 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.503 ' HA ' HD13 ' A' ' 15' ' ' LEU . 5.4 ptt85 -120.93 -31.61 4.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.646 0.26 . . . . 0.0 111.226 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.588 ' N ' HD22 ' A' ' 15' ' ' LEU . 14.2 t -140.97 149.69 42.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.779 0.323 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.2 -23.02 61.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.14 86.44 1.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.883 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.5 t -57.71 109.69 1.96 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.54 171.18 0.22 Allowed 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.389 2.06 . . . . 0.0 112.289 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.1 t -107.73 34.19 3.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -105.98 87.28 2.33 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.01 177.09 6.11 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.573 2.182 . . . . 0.0 112.311 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.417 -1.213 . . . . 0.0 112.462 -179.959 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.3 m . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.729 0.299 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.9 p 58.08 109.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.0 p -98.94 151.73 20.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.03 -176.17 32.8 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.499 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.77 -28.25 20.66 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.601 2.2 . . . . 0.0 112.349 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -94.88 45.67 1.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.4 p -177.96 119.79 0.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.757 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.32 -91.5 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.164 -179.636 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -119.56 -20.89 7.58 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.549 0.214 . . . . 0.0 111.255 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.1 t -176.92 37.04 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.73 0.3 . . . . 0.0 110.992 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -153.93 136.65 15.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.81 0.338 . . . . 0.0 110.871 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.514 HD22 ' C ' ' A' ' 35' ' ' ARG . 68.4 mt -54.37 121.38 8.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.763 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.5 mttt -49.63 165.99 0.27 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.074 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.56 117.15 4.5 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.541 2.161 . . . . 0.0 112.29 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.17 122.29 15.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.065 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.8 28.9 4.03 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.481 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.482 HG22 ' HB3' ' A' ' 32' ' ' CYS . 13.3 t -121.45 175.0 6.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.884 0.373 . . . . 0.0 110.854 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.649 HG21 ' CG ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -93.99 141.94 27.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.877 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 52.9 t -96.1 -70.74 0.7 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 25.0 t90 -126.71 89.83 3.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.649 ' CG ' HG21 ' A' ' 21' ' ' THR . 4.6 mtt180 -78.99 118.38 20.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -111.57 -76.41 0.6 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.9 m -177.55 -39.55 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.3 p -112.32 -32.33 2.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.177 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.404 ' OG ' ' CD2' ' A' ' 30' ' ' HIS . 19.4 t -79.68 -78.64 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.9 m 60.23 101.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.404 ' CD2' ' OG ' ' A' ' 28' ' ' SER . 35.7 m170 -104.18 -177.77 3.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -146.54 161.2 40.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.482 ' HB3' HG22 ' A' ' 20' ' ' THR . 12.2 t -107.22 127.17 53.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.3 t -86.75 5.7 35.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.313 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 53.13 35.98 50.83 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.634 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.514 ' C ' HD22 ' A' ' 15' ' ' LEU . 1.6 tmm_? -115.03 -37.89 4.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.837 0.351 . . . . 0.0 111.031 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.8 166.52 31.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.924 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 84.6 m -71.34 -30.27 65.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -63.18 103.23 0.46 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.6 m -68.41 155.03 93.48 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.78 160.75 48.56 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.531 2.154 . . . . 0.0 112.325 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.3 m -131.12 33.09 4.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 26.2 p90 -137.85 154.87 74.9 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.11 108.59 2.18 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.592 2.194 . . . . 0.0 112.284 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.334 -1.259 . . . . 0.0 112.508 179.993 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 23.7 m . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.847 0.356 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -62.63 141.2 58.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.747 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 30.3 p -128.26 123.99 35.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.964 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.21 -169.49 41.96 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.52 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -78.43 -33.2 1.93 Allowed 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.73 2.287 . . . . 0.0 112.606 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -74.89 -26.91 59.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.128 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 26.2 p -112.5 134.45 54.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.748 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.4 mtm180 -59.34 -94.78 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.093 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -120.22 -22.0 6.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.666 0.269 . . . . 0.0 111.128 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 33.9 t -176.82 35.62 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.8 0.333 . . . . 0.0 111.051 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.6 tttp -163.35 126.19 2.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.761 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.745 HD11 ' O ' ' A' ' 36' ' ' SER . 0.4 OUTLIER -49.78 115.18 1.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.814 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.9 mttt -49.23 156.44 1.02 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.031 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -51.95 134.42 48.82 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.504 2.136 . . . . 0.0 112.41 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.58 132.84 54.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.033 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.59 21.52 56.01 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.536 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 87.2 m -110.4 117.74 34.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 0.0 110.735 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -58.4 127.2 30.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.1 p -89.47 -40.63 12.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 35.5 t90 -134.42 140.06 46.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -149.55 146.92 27.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.4 m -160.56 38.37 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.3 m 60.84 29.93 19.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.438 HG13 ' N ' ' A' ' 28' ' ' SER . 11.3 p -125.68 -42.54 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.145 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.438 ' N ' HG13 ' A' ' 27' ' ' VAL . 1.7 m -163.3 -176.47 4.8 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.914 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.8 m -133.5 118.31 18.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -105.36 85.33 2.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -73.75 134.8 43.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.7 t -78.51 140.45 38.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.6 p -91.76 9.95 30.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.3 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.462 ' HA2' HD12 ' A' ' 15' ' ' LEU . . . 50.65 26.13 10.05 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.676 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.5 ttt-85 -116.5 -36.22 4.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.809 0.338 . . . . 0.0 111.102 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.745 ' O ' HD11 ' A' ' 15' ' ' LEU . 1.9 m -144.62 150.18 36.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.945 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 43.7 t -73.26 -19.3 61.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.063 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -74.32 85.99 1.96 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.867 0.365 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -57.67 109.62 1.91 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.959 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.95 177.38 0.06 OUTLIER 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.431 2.087 . . . . 0.0 112.255 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.4 m -111.76 31.71 5.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -68.92 149.57 97.83 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.27 155.64 63.78 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.53 2.153 . . . . 0.0 112.315 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.421 -1.21 . . . . 0.0 112.467 -179.999 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.866 0.365 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.44 112.76 6.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.2 p -83.06 128.85 34.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.13 175.81 34.52 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.527 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -42.55 3.34 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.599 2.2 . . . . 0.0 112.253 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.65 -26.85 64.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.999 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 54.7 m -93.12 166.11 12.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.8 ttt180 -92.93 48.12 1.33 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 72.11 8.06 5.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.492 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -160.15 -59.62 0.06 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.774 0.321 . . . . 0.0 111.067 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.52 157.53 31.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.007 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.439 HD23 ' H ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -55.61 131.24 45.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.927 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.2 mtmp? -66.82 166.03 21.84 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.944 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.2 142.45 67.33 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.61 2.207 . . . . 0.0 112.293 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.02 108.05 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.056 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.01 25.74 3.77 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.559 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 67.8 m -117.08 118.8 33.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.86 0.362 . . . . 0.0 110.826 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.2 t -62.48 128.5 36.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.984 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 29.4 p -85.72 -31.23 22.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.431 ' CE3' ' HA ' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -115.78 87.95 2.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.799 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -111.49 84.52 1.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.745 HG23 HG12 ' A' ' 27' ' ' VAL . 4.2 t -120.88 35.26 4.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m 60.85 38.97 17.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.745 HG12 HG23 ' A' ' 25' ' ' THR . 12.2 p -178.55 -38.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.162 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.5 m -86.85 147.84 25.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.944 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.1 m -161.08 101.45 1.25 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -110.17 -30.23 7.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.004 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 62.4 116.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.865 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.9 t -85.44 134.55 34.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.823 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.1 p -91.84 12.53 21.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.187 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.79 46.05 24.94 Favored Glycine 0 C--N 1.332 0.345 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.796 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -139.86 -46.42 0.44 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.878 0.37 . . . . 0.0 111.063 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 m -127.35 148.53 50.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.988 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.91 -19.01 60.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.151 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -81.1 95.58 6.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.791 0.329 . . . . 0.0 110.921 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.18 146.23 83.8 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.832 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.81 128.66 15.36 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.493 2.129 . . . . 0.0 112.302 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.6 p -63.13 -32.11 73.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -82.25 149.82 62.86 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.97 129.31 17.15 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.597 2.198 . . . . 0.0 112.264 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.384 -1.231 . . . . 0.0 112.536 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.4 m . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.788 0.328 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.8 m -67.11 76.18 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.804 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 36.4 p -52.59 114.59 1.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.38 169.69 40.62 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.53 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.39 -31.18 56.27 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.596 2.198 . . . . 0.0 112.492 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.8 t -97.57 29.78 3.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.001 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.09 109.05 10.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.621 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.436 ' O ' ' HB2' ' A' ' 12' ' ' GLN . 8.0 ttp180 -52.97 -30.15 33.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.242 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.436 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER 170.28 -31.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.869 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.6 t -175.52 33.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.986 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -156.93 110.2 2.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.495 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.852 HD11 ' HA ' ' A' ' 36' ' ' SER . 0.3 OUTLIER -45.34 107.91 0.11 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.945 -179.82 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.2 mtmm -46.36 155.84 0.53 Allowed Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.231 -179.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo -51.88 136.59 51.8 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.582 2.188 . . . . 0.0 112.434 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.644 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -60.05 108.97 0.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.46 26.61 3.9 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.447 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 79.3 m -117.4 131.21 56.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.811 0.338 . . . . 0.0 110.761 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.428 HG21 ' HG3' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -60.05 147.01 40.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.903 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.2 p -97.62 -30.95 12.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 20.1 t90 -130.63 -73.96 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.428 ' HG3' HG21 ' A' ' 21' ' ' THR . 1.1 ttp85 58.07 87.7 0.07 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.905 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.7 t -83.49 -39.48 20.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.7 -39.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.867 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.0 t -120.23 -40.19 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.151 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.91 86.74 6.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.899 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.8 m -97.01 79.19 2.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -73.09 98.95 2.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.961 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -74.62 159.19 32.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.9 m -98.72 154.59 17.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.9 t -108.17 13.89 25.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.644 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 49.46 26.69 7.42 Favored Glycine 0 C--N 1.333 0.364 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.724 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -105.27 -31.18 9.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 0.0 110.98 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.852 ' HA ' HD11 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -150.47 172.23 15.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 m -95.24 10.31 36.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.184 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -117.18 115.19 24.85 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.81 0.338 . . . . 0.0 110.811 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.81 147.08 73.49 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.966 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.37 177.68 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.549 2.166 . . . . 0.0 112.28 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.1 m -106.57 31.46 5.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -161.45 157.27 21.35 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.58 165.61 30.17 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.592 2.194 . . . . 0.0 112.261 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.363 -1.243 . . . . 0.0 112.48 179.993 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.3 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.748 0.308 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 62.47 63.39 1.03 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.987 0.422 . . . . 0.0 110.768 -179.947 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.78 138.38 58.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.948 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.92 -170.25 42.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -69.4 -28.25 27.19 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.621 2.214 . . . . 0.0 112.304 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 46.7 m -98.52 33.73 2.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -148.75 164.31 34.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.862 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -178.09 128.04 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.748 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 63.17 15.65 8.73 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.218 -179.866 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.7 t 76.95 39.22 0.22 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.79 -179.71 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.59 122.44 11.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.559 179.86 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -47.73 114.92 0.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.082 -179.837 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.473 ' HD3' HG21 ' A' ' 20' ' ' THR . 46.9 mttt -53.62 164.59 0.84 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.942 -179.876 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -64.97 139.19 60.52 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.539 2.159 . . . . 0.0 112.365 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.535 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -58.5 122.58 13.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.915 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.32 22.61 8.54 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.519 -179.928 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.473 HG21 ' HD3' ' A' ' 16' ' ' LYS . 76.2 m -91.11 120.28 31.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.827 0.346 . . . . 0.0 110.807 179.914 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.563 HG22 ' O ' ' A' ' 30' ' ' HIS . 0.0 OUTLIER -66.23 135.05 53.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.918 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 28.2 p -107.01 -31.92 8.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -153.28 78.37 1.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.446 ' HB2' HG21 ' A' ' 21' ' ' THR . 1.7 tmt_? -93.01 145.98 23.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -141.77 -174.99 4.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.905 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.22 -30.8 63.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.3 t -106.4 -32.54 2.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.217 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.01 169.75 8.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -174.67 98.46 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.563 ' O ' HG22 ' A' ' 21' ' ' THR . 3.3 m-70 -102.46 142.66 33.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.962 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.45 ' CE1' HG23 ' A' ' 21' ' ' THR . 38.1 m-85 -125.54 156.17 39.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 179.92 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.7 t -88.57 165.31 14.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.967 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.7 t -109.22 8.35 25.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.364 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.535 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 54.02 24.78 29.01 Favored Glycine 0 C--N 1.332 0.306 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.753 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.1 ttp85 -112.2 -35.98 5.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.832 0.348 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 m -129.11 172.74 11.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.761 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 35.4 m -110.55 22.55 15.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.946 179.89 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -131.11 92.21 3.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.753 179.787 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.4 t -53.12 107.69 0.91 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.078 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.444 ' HB2' ' CD2' ' A' ' 42' ' ' TYR . 55.1 Cg_endo -69.76 177.54 5.48 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.469 2.113 . . . . 0.0 112.277 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.5 p -94.41 46.48 1.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.444 ' CD2' ' HB2' ' A' ' 40' ' ' PRO . 17.5 m-85 -114.1 88.32 14.63 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -51.91 131.44 38.42 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.55 2.167 . . . . 0.0 112.328 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.39 -1.228 . . . . 0.0 112.496 -180.0 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 67.9 m . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.91 0.386 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.7 p -141.55 112.95 7.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.824 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.7 p -101.7 108.4 19.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.62 -157.55 21.33 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.529 -179.787 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -83.44 -43.58 0.07 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.766 2.311 . . . . 0.0 112.863 -179.713 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -92.92 46.03 1.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.948 0.404 . . . . 0.0 111.276 -179.538 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.0 p -170.11 120.45 0.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.969 0.414 . . . . 0.0 111.064 179.701 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.7 mtp180 -58.71 -162.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.954 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.51 -27.09 35.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.603 -179.663 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -167.23 30.41 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -179.625 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.3 mmtt -158.27 128.17 5.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.569 0.223 . . . . 0.0 110.648 179.743 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.653 HD12 ' O ' ' A' ' 16' ' ' LYS . 3.8 pp -43.58 137.7 2.81 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.697 179.947 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.687 ' HD3' HG21 ' A' ' 20' ' ' THR . 22.1 mttt -59.94 160.03 17.6 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.038 -179.072 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_exo -50.73 138.76 40.76 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.579 2.186 . . . . 0.0 112.417 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.558 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -59.75 105.69 0.4 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.033 179.893 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.404 ' O ' ' CD2' ' A' ' 31' ' ' TYR . . . 115.64 28.43 2.74 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.63 179.896 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.687 HG21 ' HD3' ' A' ' 16' ' ' LYS . 89.8 m -102.84 107.59 18.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.855 0.36 . . . . 0.0 110.852 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -47.15 117.03 1.57 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.333 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 28.3 t -69.84 -49.96 47.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 21.3 t90 -151.03 97.81 2.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.71 111.56 23.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.01 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 70.8 p -80.58 -77.94 0.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.772 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.5 m -162.02 29.29 0.12 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.005 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.3 p 179.74 -38.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.102 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 m -60.62 -79.86 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.971 -179.892 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.9 t 59.69 106.83 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -125.32 93.56 3.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.404 ' CD2' ' O ' ' A' ' 19' ' ' GLY . 15.4 m-85 -63.48 142.83 58.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 20' ' ' THR . 0.5 OUTLIER -69.6 158.82 34.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.016 180.0 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.0 t -96.6 2.26 52.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.165 179.811 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.558 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 53.31 29.07 36.93 Favored Glycine 0 C--N 1.332 0.347 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.65 -179.848 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.41 ' C ' HD22 ' A' ' 15' ' ' LEU . 3.2 ttt180 -119.0 -41.83 2.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.892 0.377 . . . . 0.0 110.921 -179.915 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -151.38 158.8 44.21 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.7 t -72.67 -23.95 60.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.113 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -59.89 89.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.948 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 86.8 m -58.04 109.73 2.02 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.03 177.4 0.06 OUTLIER 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.399 2.066 . . . . 0.0 112.292 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.1 m -91.82 -31.5 15.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 28.5 p90 -83.72 151.74 61.92 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.16 -177.5 2.03 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.542 2.161 . . . . 0.0 112.332 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.385 -1.231 . . . . 0.0 112.511 -179.981 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.88 0.371 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 76.8 p -67.56 76.15 0.18 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.2 p -91.92 109.55 20.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.22 -176.05 44.09 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.471 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.01 -27.61 25.05 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.521 2.147 . . . . 0.0 112.333 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 67.8 m -109.36 34.2 3.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.953 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.9 p -172.98 116.01 0.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.956 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -132.73 158.68 41.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.737 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 67.73 12.8 9.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.308 -179.935 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.8 t 75.97 38.62 0.34 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.851 -179.732 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -157.23 140.11 15.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.744 179.882 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.561 HD21 ' HA ' ' A' ' 36' ' ' SER . 0.2 OUTLIER -54.67 121.16 7.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.895 179.983 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.497 ' HD3' HG21 ' A' ' 20' ' ' THR . 8.6 tttp -56.26 148.67 40.93 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.057 -179.937 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.23 142.05 57.45 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.581 2.187 . . . . 0.0 112.308 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.23 116.73 5.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.024 179.927 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.83 2.3 7.97 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.901 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.497 HG21 ' HD3' ' A' ' 16' ' ' LYS . 1.0 OUTLIER -72.35 172.94 9.44 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.849 0.357 . . . . 0.0 110.774 179.911 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.489 ' H ' HG22 ' A' ' 20' ' ' THR . 0.0 OUTLIER -107.0 165.92 10.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.027 -179.941 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -105.2 -70.83 0.76 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.1 t90 -137.1 -71.14 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.3 ttt180 59.97 107.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.894 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.7 m -105.46 -34.66 7.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.08 -39.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -112.2 -33.25 2.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.117 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.6 t -72.95 136.99 45.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 72.5 m -139.0 79.19 1.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -103.03 145.43 29.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -136.2 158.95 43.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 28.8 m -93.72 134.79 35.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.9 t -93.96 14.7 18.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.274 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 53.01 25.25 23.59 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.723 179.937 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -107.98 -35.0 6.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.889 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.561 ' HA ' HD21 ' A' ' 15' ' ' LEU . 7.8 t -161.35 165.65 28.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 82.8 m -71.34 -29.12 64.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -62.78 113.54 3.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.97 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.3 t -61.35 139.88 94.69 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.44 171.74 0.19 Allowed 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.469 2.113 . . . . 0.0 112.317 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.7 p -103.95 -32.8 9.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 22.5 p90 -100.35 154.78 37.01 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.97 168.96 20.34 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.578 2.185 . . . . 0.0 112.314 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.376 -1.236 . . . . 0.0 112.505 179.98 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 34.9 m . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.825 0.345 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.8 p -58.96 92.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -87.63 116.67 25.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.88 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.12 -179.52 48.88 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.477 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.04 -26.15 21.93 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.638 2.226 . . . . 0.0 112.394 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.6 t -89.06 5.49 44.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.445 -179.845 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.3 m -123.27 153.05 40.72 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.757 0.313 . . . . 0.0 110.77 179.891 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -86.25 -89.45 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.908 -179.856 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.31 -24.82 7.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.758 0.313 . . . . 0.0 110.98 179.901 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.3 t -178.87 36.01 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.027 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -161.74 137.21 7.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.825 179.95 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.62 HD21 ' C ' ' A' ' 36' ' ' SER . 1.4 mt -56.01 114.93 2.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.729 179.889 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.25 147.94 12.63 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.975 -179.849 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -52.65 143.0 48.31 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.58 2.187 . . . . 0.0 112.388 -179.926 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.99 127.16 30.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.05 179.916 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.43 -5.18 21.39 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.773 -179.92 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.3 m -80.76 112.43 18.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.814 0.34 . . . . 0.0 110.807 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.441 HG23 ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -65.41 147.41 53.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -179.944 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 34.4 m -91.56 -74.85 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.972 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 21.2 t90 -82.31 -36.4 27.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? 59.21 108.48 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -155.23 162.62 40.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.9 t -85.69 56.84 4.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.0 p -178.51 -38.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.156 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 92.3 p -133.6 84.61 2.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 t -79.44 82.89 5.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -72.36 93.59 1.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.987 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.441 ' CD1' HG23 ' A' ' 21' ' ' THR . 22.2 m-85 -85.69 155.97 20.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 179.944 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.2 m -94.74 135.76 35.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.5 p -95.55 12.79 28.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.011 179.855 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.8 28.44 3.78 Favored Glycine 0 C--N 1.333 0.374 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.88 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.469 ' O ' HD11 ' A' ' 15' ' ' LEU . 8.3 mmt-85 -115.22 -35.59 4.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.791 0.329 . . . . 0.0 111.165 -179.799 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.62 ' C ' HD21 ' A' ' 15' ' ' LEU . 1.3 m -133.21 152.9 51.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.979 -179.939 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -71.31 -24.12 62.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.953 179.838 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -94.78 125.48 39.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.794 179.884 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -58.81 146.52 75.22 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.98 -179.916 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.77 177.71 7.26 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.569 2.179 . . . . 0.0 112.346 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.4 m -101.78 33.77 2.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -105.48 88.24 2.58 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.49 96.99 0.59 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.534 2.156 . . . . 0.0 112.296 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.385 -1.231 . . . . 0.0 112.509 -179.984 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 73.2 m . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.88 0.372 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.3 90.59 3.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.611 179.812 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -44.82 96.23 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.427 -179.71 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.17 -166.66 13.99 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.402 -179.956 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -74.95 -26.61 10.86 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.634 2.223 . . . . 0.0 112.601 -179.836 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.405 ' CB ' ' HA ' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -98.19 31.92 2.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.096 -179.836 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.4 m -159.37 110.6 2.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.622 179.793 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.71 -87.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.128 -179.681 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -121.49 -19.73 6.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.609 0.243 . . . . 0.0 111.318 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 176.58 36.85 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.022 -179.827 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.3 tptm -148.96 120.5 7.97 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.857 0.361 . . . . 0.0 110.907 -179.953 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.777 HD13 ' HA ' ' A' ' 35' ' ' ARG . 48.7 mt -47.95 115.96 1.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.777 179.788 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.591 ' HD3' HG21 ' A' ' 20' ' ' THR . 3.9 mttt -47.12 144.39 4.11 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.966 -179.639 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -49.98 128.06 20.99 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.556 2.17 . . . . 0.0 112.498 -179.772 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.3 101.42 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.032 179.878 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 139.88 -14.61 3.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.463 -179.744 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.591 HG21 ' HD3' ' A' ' 16' ' ' LYS . 23.0 m -69.66 112.17 5.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.812 0.339 . . . . 0.0 110.659 179.869 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.57 142.65 50.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.976 -179.752 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -77.19 -57.38 3.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 18.4 t90 -106.7 -71.6 0.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.956 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.67 97.76 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.962 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.87 -34.04 12.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.0 p -178.31 -39.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.478 HG13 ' N ' ' A' ' 28' ' ' SER . 12.3 p -129.91 -44.02 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.138 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.478 ' N ' HG13 ' A' ' 27' ' ' VAL . 23.2 t -66.03 104.25 1.1 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.901 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 73.2 m -131.37 115.72 16.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -77.04 -37.75 54.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 62.66 127.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -73.19 140.83 47.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.0 p -94.85 14.7 20.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.044 179.872 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.38 31.21 6.47 Favored Glycine 0 C--N 1.332 0.339 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.917 179.901 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.777 ' HA ' HD13 ' A' ' 15' ' ' LEU . 27.2 ttm-85 -144.91 19.3 1.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.621 0.248 . . . . 0.0 111.317 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.679 ' N ' HD22 ' A' ' 15' ' ' LEU . 17.9 p -178.26 136.37 0.16 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.779 0.323 . . . . 0.0 110.812 179.882 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.405 ' HA ' ' CB ' ' A' ' 9' ' ' CYS . 3.8 m -78.91 -8.56 58.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.271 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -96.29 93.04 6.65 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.858 0.361 . . . . 0.0 110.823 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.4 p -57.47 109.59 1.87 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.53 176.75 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.433 2.089 . . . . 0.0 112.308 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -112.84 37.17 3.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -114.49 87.52 14.18 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.2 -176.69 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.548 2.166 . . . . 0.0 112.323 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.4 -1.222 . . . . 0.0 112.497 -179.958 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.463 0.191 0 CA-C-O 120.56 0.219 . . . . 0.0 111.538 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.655 HG22 ' HB3' ' A' ' 37' ' ' CYS . 0.2 OUTLIER 58.08 106.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 0.0 110.954 179.863 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.3 p -110.91 125.26 53.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 179.873 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.6 -162.53 36.32 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.579 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -78.56 -41.66 0.25 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.724 2.283 . . . . 0.0 112.717 -179.765 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.415 ' CB ' ' HA ' ' A' ' 37' ' ' CYS . 3.4 m -85.6 54.69 3.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.919 0.39 . . . . 0.0 111.215 -179.745 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.403 ' HA ' ' N ' ' A' ' 16' ' ' LYS . 24.2 p 179.49 129.47 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.702 179.69 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -55.17 -42.01 72.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.059 -179.755 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 165.65 -29.31 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.245 -179.923 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.6 m -138.62 10.92 2.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.65 -179.843 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -159.66 133.78 7.49 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.749 0.309 . . . . 0.0 110.66 179.887 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.785 HD22 ' O ' ' A' ' 35' ' ' ARG . 1.9 pp -48.18 131.12 16.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.604 179.897 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.692 ' O ' HD12 ' A' ' 15' ' ' LEU . 12.9 mttp -65.47 160.43 59.51 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.707 -179.61 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -64.37 137.22 54.66 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.517 2.144 . . . . 0.0 112.232 179.87 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.621 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -50.18 157.31 0.68 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.205 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.34 -16.45 61.06 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.678 -179.938 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -57.02 175.07 0.14 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.916 0.388 . . . . 0.0 110.859 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.479 HG21 ' CG ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -126.69 132.7 51.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.892 -179.928 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.0 t -95.78 -31.88 12.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -165.94 83.13 0.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.479 ' CG ' HG21 ' A' ' 21' ' ' THR . 4.8 ptm180 -106.45 104.53 14.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.904 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.603 ' O ' HG23 ' A' ' 27' ' ' VAL . 2.8 m -119.16 30.04 7.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.6 m 58.83 30.83 20.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.943 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.603 HG23 ' O ' ' A' ' 25' ' ' THR . 21.4 t -128.95 -44.56 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.24 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 97.1 p -114.79 -36.88 4.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.1 m 59.77 79.5 0.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 15.2 m170 -92.29 163.55 13.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -140.99 152.96 45.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 11.9 t -83.03 132.74 35.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.513 HG23 ' H ' ' A' ' 35' ' ' ARG . 8.9 t -68.78 -12.17 61.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.23 179.872 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.621 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 59.74 29.77 67.91 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.4 -179.773 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.785 ' O ' HD22 ' A' ' 15' ' ' LEU . 3.1 tmt_? -120.73 -38.32 2.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.822 0.344 . . . . 0.0 111.01 -179.853 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 m -155.48 159.59 39.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.719 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.655 ' HB3' HG22 ' A' ' 5' ' ' THR . 4.4 t -72.74 -25.4 61.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.039 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -59.2 88.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.835 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.3 m -55.87 108.75 1.29 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.986 -179.891 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.27 177.55 5.81 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.427 2.084 . . . . 0.0 112.289 179.971 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.6 t -100.9 41.08 1.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -105.1 88.55 2.49 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -69.12 115.17 3.87 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.571 2.18 . . . . 0.0 112.319 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.369 -1.239 . . . . 0.0 112.475 179.981 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.845 0.355 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.405 ' CG2' ' HB3' ' A' ' 37' ' ' CYS . 0.2 OUTLIER 63.92 135.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.716 -179.851 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -123.33 134.69 54.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.912 -179.937 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.21 -162.89 34.61 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.427 -179.895 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -79.22 -43.83 0.14 Allowed 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.629 2.219 . . . . 0.0 112.6 -179.808 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -62.31 -27.83 69.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.227 -179.732 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.5 p -111.76 128.78 56.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.836 179.903 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.3 mtp85 -58.43 -91.04 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.186 -179.667 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -123.49 -19.18 5.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.576 0.227 . . . . 0.0 111.413 -179.786 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.1 m -171.36 29.37 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.696 -0.229 . . . . 0.0 111.466 -179.747 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.5 tttt -170.19 122.57 0.67 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.768 0.318 . . . . 0.0 110.84 179.911 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.611 HD13 ' C ' ' A' ' 35' ' ' ARG . 0.1 OUTLIER -47.85 115.65 1.23 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.713 179.818 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.789 ' HD2' HG21 ' A' ' 20' ' ' THR . 7.7 mttm -46.75 164.05 0.23 Allowed Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 -179.599 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -56.24 138.33 82.96 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.598 2.199 . . . . 0.0 112.191 179.909 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.31 119.0 4.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.224 179.939 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.46 13.19 8.31 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.723 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.789 HG21 ' HD2' ' A' ' 16' ' ' LYS . 10.9 m -91.69 118.87 31.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.853 0.359 . . . . 0.0 110.766 179.926 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 t -50.66 139.36 16.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.19 -179.858 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 51.4 t -113.06 101.47 9.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 71.0 t90 60.54 95.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.81 127.56 55.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.1 p -92.15 -78.4 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.21 37.73 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.1 p -178.5 -38.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 179.919 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.8 p -80.16 -78.11 0.17 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.4 t 60.17 108.5 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.411 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 11.8 m170 -93.14 -168.76 2.0 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -152.57 112.49 3.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 14.7 t -66.04 143.72 57.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.819 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.499 HG23 ' HB2' ' A' ' 35' ' ' ARG . 1.9 t -90.66 10.47 25.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.354 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.473 ' O ' HD12 ' A' ' 15' ' ' LEU . . . 50.17 28.41 13.2 Favored Glycine 0 C--N 1.332 0.341 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.726 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.611 ' C ' HD13 ' A' ' 15' ' ' LEU . 3.7 mmt180 -102.51 -35.71 8.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.835 0.35 . . . . 0.0 111.004 -179.833 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -166.74 171.8 11.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.947 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.405 ' HB3' ' CG2' ' A' ' 5' ' ' THR . 6.7 t -74.81 -25.77 59.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.064 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -58.87 88.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.927 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 36.0 t -59.92 110.52 2.87 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.447 ' HB2' ' CE1' ' A' ' 42' ' ' TYR . 52.9 Cg_exo -52.68 177.22 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.433 2.089 . . . . 0.0 112.263 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -126.38 65.65 1.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.447 ' CE1' ' HB2' ' A' ' 40' ' ' PRO . 14.3 p90 -141.52 149.21 53.37 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.51 127.68 25.1 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.559 2.173 . . . . 0.0 112.286 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.512 179.963 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.839 0.352 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 47.1 p -63.58 109.68 1.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.671 HG23 ' HA ' ' A' ' 12' ' ' GLN . 12.9 m -117.44 155.63 29.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.94 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.74 -169.51 29.25 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.513 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.28 -37.1 6.19 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.609 2.206 . . . . 0.0 112.421 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -100.13 31.67 3.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.943 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 55.9 m -144.83 160.89 40.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.88 31.97 2.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.992 -179.9 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.671 ' HA ' HG23 ' A' ' 6' ' ' THR . 1.7 tp60 69.96 9.34 7.07 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.492 179.941 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.4 m -164.14 -41.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.693 0.282 . . . . 0.0 111.245 -179.957 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.7 mttm -128.06 159.11 36.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.829 0.347 . . . . 0.0 110.997 -179.867 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.452 HD13 ' HA ' ' A' ' 35' ' ' ARG . 59.6 mt -59.07 132.64 54.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 179.884 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -59.07 149.46 66.74 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.743 179.913 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -51.53 121.95 9.41 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.524 2.149 . . . . 0.0 112.384 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.73 109.38 0.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.1 179.891 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.26 23.97 4.32 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.497 -179.74 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.1 m -100.81 127.46 47.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.785 0.326 . . . . 0.0 110.56 179.918 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.571 HG22 ' HA ' ' A' ' 29' ' ' SER . 0.1 OUTLIER -49.87 163.28 0.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.314 -179.645 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.0 t -154.13 -45.98 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.012 -179.887 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.422 ' O ' ' CD2' ' A' ' 30' ' ' HIS . 0.9 OUTLIER -175.72 -178.56 1.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.086 -179.83 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.429 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 0.0 OUTLIER 175.34 -33.64 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.832 179.852 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 75.21 48.66 0.09 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.807 -179.803 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 m -178.81 -72.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.741 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.519 HG22 ' O ' ' A' ' 27' ' ' VAL . 11.8 p -123.94 -3.29 6.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.635 179.95 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.6 p 57.64 106.71 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.864 0.364 . . . . 0.0 111.014 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.571 ' HA ' HG22 ' A' ' 21' ' ' THR . 40.4 t -176.66 36.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.225 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.429 ' CD2' ' HA ' ' A' ' 24' ' ' ARG . 0.7 OUTLIER -65.38 -29.89 70.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.773 179.836 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 60.0 105.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.976 179.894 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.4 t -70.25 159.67 33.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 179.904 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.7 t -100.52 7.36 44.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.383 -179.904 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.2 36.01 9.64 Favored Glycine 0 C--N 1.333 0.41 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.784 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.452 ' HA ' HD13 ' A' ' 15' ' ' LEU . 6.7 mmm180 -108.17 -37.58 5.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.838 0.351 . . . . 0.0 111.121 -179.837 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.5 p -153.03 161.89 41.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.966 -179.922 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.1 m -70.82 -28.5 64.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.807 179.846 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -63.19 84.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.8 t -54.95 108.27 1.11 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.96 -179.899 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.23 177.63 6.37 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.436 2.091 . . . . 0.0 112.327 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.6 m -108.88 54.84 0.65 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -105.68 87.62 2.36 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.937 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 125.62 12.38 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.567 2.178 . . . . 0.0 112.279 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.414 -1.215 . . . . 0.0 112.461 179.998 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 CA--C 1.529 0.156 0 CA-C-O 120.56 0.219 . . . . 0.0 111.343 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.8 p 49.47 71.47 0.38 Allowed 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.834 0.35 . . . . 0.0 111.07 -179.888 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.92 153.67 24.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.873 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.71 -164.74 30.4 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.521 -179.875 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -76.03 -45.19 0.23 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.625 2.217 . . . . 0.0 112.645 -179.88 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -95.05 52.46 1.45 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.051 -179.815 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.7 m -132.9 145.83 51.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.826 179.915 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.04 74.43 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.799 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 68.98 -68.28 0.19 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.005 -179.919 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.7 t -144.59 30.29 1.22 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.4 mptt -152.4 130.12 11.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.795 179.957 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.696 HD11 ' HA ' ' A' ' 36' ' ' SER . 0.3 OUTLIER -50.02 121.61 5.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.933 179.907 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.0 155.3 3.26 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.955 -179.733 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -65.1 144.84 83.25 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.595 2.196 . . . . 0.0 112.385 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.12 165.63 1.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.011 179.889 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.404 ' O ' ' CD2' ' A' ' 31' ' ' TYR . . . 61.78 17.77 55.18 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.631 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.0 m -110.57 111.76 23.21 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.839 0.352 . . . . 0.0 110.853 179.897 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 t -56.79 167.37 0.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 -179.923 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 90.8 m -107.59 -42.13 4.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.789 ' CZ3' HG21 ' A' ' 25' ' ' THR . 31.9 t90 -129.1 83.85 2.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.951 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.5 ptt180 -60.96 136.57 58.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.789 HG21 ' CZ3' ' A' ' 23' ' ' TRP . 2.5 t -171.44 161.76 6.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -88.66 54.08 2.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -152.08 -45.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 179.949 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.8 t -166.96 136.17 2.85 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.0 p -116.93 149.46 40.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 23.0 m-70 -128.26 80.1 1.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.404 ' CD2' ' O ' ' A' ' 19' ' ' GLY . 27.6 m-85 -60.1 132.24 53.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.3 m -76.22 173.13 11.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.904 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.3 p -116.7 14.4 15.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.225 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.24 24.41 15.73 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.737 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 42.5 mtm-85 -114.41 -33.17 5.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.73 0.3 . . . . 0.0 110.986 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.696 ' HA ' HD11 ' A' ' 15' ' ' LEU . 1.5 m -142.05 156.47 45.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.1 m -70.38 -26.81 63.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.762 179.879 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -69.33 157.74 36.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 179.933 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.54 93.06 30.99 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -67.64 178.19 3.48 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.495 2.13 . . . . 0.0 112.246 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.6 m -84.55 57.18 4.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -123.71 76.91 56.46 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.79 -27.09 26.77 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.592 2.195 . . . . 0.0 112.357 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.402 -1.221 . . . . 0.0 112.494 -179.969 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 39.6 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.811 0.339 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.512 HG23 ' SG ' ' A' ' 10' ' ' CYS . 2.1 t -72.64 64.48 0.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.748 179.854 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.66 108.47 0.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.004 -179.845 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.63 -162.85 13.49 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.47 179.958 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.0 -33.46 3.63 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.623 2.215 . . . . 0.0 112.563 -179.8 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.0 t -102.22 29.88 4.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.256 -179.809 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.512 ' SG ' HG23 ' A' ' 5' ' ' THR . 17.9 m -146.65 109.11 4.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.971 179.907 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.8 ttt85 -119.78 139.22 52.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.728 179.844 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.41 ' O ' ' HB3' ' A' ' 13' ' ' CYS . 1.4 mp0 64.4 14.64 8.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.327 -179.927 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.41 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 23.5 t 72.58 50.31 0.18 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.844 -179.833 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -148.02 109.56 4.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.57 179.789 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 mt -45.05 104.0 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.007 -179.95 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt -46.88 149.65 1.49 Allowed Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.122 -179.689 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -65.55 143.83 76.77 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.517 2.145 . . . . 0.0 112.345 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.01 154.99 4.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.139 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.408 ' O ' ' CD1' ' A' ' 31' ' ' TYR . . . 86.39 -6.3 82.37 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.731 -179.819 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.4 m -93.01 113.85 26.24 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.831 0.348 . . . . 0.0 110.845 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 t -58.96 168.32 1.33 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.973 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.9 p -153.79 31.58 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.423 ' CH2' HG21 ' A' ' 27' ' ' VAL . 21.5 t90 -174.19 85.38 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -104.35 123.37 47.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.959 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 25' ' ' THR . 18.7 m -155.89 30.94 0.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.6 m 59.6 29.99 19.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.423 HG21 ' CH2' ' A' ' 23' ' ' TRP . 6.9 m -116.42 -37.48 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.187 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.0 t -177.25 -169.75 0.25 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.941 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.4 86.72 2.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -77.36 80.72 3.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.408 ' CD1' ' O ' ' A' ' 19' ' ' GLY . 31.4 m-85 -65.18 141.01 58.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 14.8 m -76.19 166.14 23.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.4 p -109.33 11.15 25.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.234 179.911 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 51.47 50.43 41.72 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.752 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.2 mtp85 -151.02 -46.18 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.867 0.365 . . . . 0.0 111.061 -179.922 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 40.3 t -135.08 152.83 52.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.948 -179.943 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.71 -24.94 62.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.841 179.917 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -59.06 105.71 0.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.97 -179.93 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 84.6 m -63.07 111.58 5.2 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.4 159.77 4.14 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.397 2.065 . . . . 0.0 112.305 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.1 m -99.37 31.94 2.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -148.73 152.26 37.17 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.06 137.85 35.53 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.516 2.144 . . . . 0.0 112.327 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.394 -1.226 . . . . 0.0 112.517 -179.991 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.8 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.834 0.35 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.495 HG22 ' HB2' ' A' ' 37' ' ' CYS . 1.3 m -70.31 103.42 2.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.947 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.09 157.8 21.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.93 -169.27 25.35 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.511 -179.88 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -74.48 -45.11 0.34 Allowed 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.649 2.232 . . . . 0.0 112.516 -179.865 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 50.6 t -86.63 57.81 4.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.963 0.411 . . . . 0.0 111.004 -179.849 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.0 m -136.21 134.53 38.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.63 179.865 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -34.62 76.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 165.33 -30.24 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.085 -179.9 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -155.36 26.3 0.41 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.868 179.918 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -173.19 169.88 4.45 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.904 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.401 ' CD2' ' N ' ' A' ' 37' ' ' CYS . 67.3 mt -60.67 137.67 58.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.029 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.8 mttm -72.37 155.46 91.34 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.519 179.754 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -58.8 128.93 29.84 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.534 2.156 . . . . 0.0 112.176 179.924 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.24 116.72 2.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.287 -179.959 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.31 22.18 5.94 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.508 -179.854 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.8 m -112.55 115.92 29.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.844 0.354 . . . . 0.0 110.868 -179.976 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.7 t -59.76 145.74 44.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 71.6 m -84.74 -66.76 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.815 ' CZ3' HG21 ' A' ' 25' ' ' THR . 26.6 t90 -106.72 146.68 30.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.977 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.5 mtt180 -111.84 143.14 43.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.815 HG21 ' CZ3' ' A' ' 23' ' ' TRP . 1.8 t -176.77 162.9 2.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 t -90.96 51.18 1.91 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.85 -179.989 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -152.0 -45.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.164 179.992 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.3 m -156.16 179.99 8.7 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.945 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.8 t -150.72 146.5 26.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -109.24 81.24 1.41 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.981 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -67.53 112.24 4.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.4 t -72.58 146.69 46.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 179.966 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.3 t -95.41 13.18 26.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.356 -179.926 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.47 25.41 20.26 Favored Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.755 179.975 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.6 ttt85 -107.03 -34.27 7.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.815 0.34 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.6 p -146.43 151.23 37.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.495 ' HB2' HG22 ' A' ' 5' ' ' THR . 1.1 m -72.32 -22.47 61.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.957 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -81.93 102.37 10.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.823 179.924 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.3 m -59.03 149.41 66.63 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.972 -179.955 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.63 177.59 6.02 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.592 2.194 . . . . 0.0 112.34 179.944 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 86.6 p -88.62 -31.49 18.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 179.943 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 31.5 p90 -86.39 149.04 48.45 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.1 -62.07 0.39 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.572 2.181 . . . . 0.0 112.321 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.38 -1.233 . . . . 0.0 112.508 -179.986 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 79.3 m . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.839 0.352 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.4 ' CG2' ' CB ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -64.15 147.68 51.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.81 179.932 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.6 p -126.39 128.89 47.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.032 -179.859 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.6 -166.29 33.78 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.521 179.926 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -78.86 -44.79 0.13 Allowed 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.74 2.293 . . . . 0.0 112.811 -179.712 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -62.69 -33.47 75.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.076 -179.645 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.0 p -102.6 144.86 30.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.738 179.825 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.89 -81.92 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.811 -179.682 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -140.7 8.99 2.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.509 -179.92 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.2 t -176.63 -29.01 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -179.915 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.8 tttp -129.42 144.28 51.18 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.957 0.408 . . . . 0.0 111.183 -179.489 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.82 HD13 ' C ' ' A' ' 35' ' ' ARG . 0.2 OUTLIER -56.52 124.29 17.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.535 179.623 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.559 ' HD3' HG21 ' A' ' 20' ' ' THR . 2.1 mttm -57.67 156.88 15.89 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.683 -179.797 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -55.24 141.69 80.22 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.524 2.149 . . . . 0.0 112.08 179.905 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.53 113.43 0.89 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.232 -179.97 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 138.56 -12.67 3.47 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.681 -179.902 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.559 HG21 ' HD3' ' A' ' 16' ' ' LYS . 1.6 m -70.81 117.32 12.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.831 0.348 . . . . 0.0 110.682 179.955 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.1 148.54 47.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.094 -179.783 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -83.64 -31.15 26.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -140.62 -66.59 0.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.1 ttt-85 60.93 107.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 39.9 p -149.99 36.43 0.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.818 -179.978 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.8 t 78.19 -56.38 0.48 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.068 -179.918 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -82.92 -30.86 8.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.133 -179.976 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 97.8 p -118.88 159.89 22.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.2 p -176.86 118.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.465 ' CE1' ' HA ' ' A' ' 43' ' ' PRO . 12.9 m-70 -126.03 90.86 3.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.963 179.989 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -67.64 147.34 52.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.96 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 9.7 t -82.62 134.42 35.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.2 t -72.19 -9.44 58.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.249 179.944 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.16 36.8 90.74 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.558 -0.83 . . . . 0.0 112.301 -179.846 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.82 ' C ' HD13 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -118.43 -38.09 3.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.766 0.317 . . . . 0.0 111.025 -179.903 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.478 ' HA ' HD22 ' A' ' 15' ' ' LEU . 32.0 p -162.18 172.46 15.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.011 -179.941 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.4 ' CB ' ' CG2' ' A' ' 5' ' ' THR . 15.5 t -72.7 -20.62 61.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.075 179.905 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -62.02 88.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.81 179.995 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.56 145.61 76.16 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.02 163.81 1.95 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.53 2.153 . . . . 0.0 112.369 179.938 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.6 p -109.97 -30.81 7.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.916 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 27.3 p90 -84.43 161.28 54.69 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.465 ' HA ' ' CE1' ' A' ' 30' ' ' HIS . 52.9 Cg_exo -52.53 -175.04 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.563 2.176 . . . . 0.0 112.389 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.423 -1.21 . . . . 0.0 112.512 -179.982 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 CA--C 1.529 0.161 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.676 HG22 ' SG ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER 52.01 72.11 0.41 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.826 0.346 . . . . 0.0 111.015 179.919 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -87.13 150.25 24.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.818 -179.978 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.16 -166.42 28.5 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.617 -179.851 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_exo -66.15 -60.02 0.12 Allowed 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.887 2.391 . . . . 0.0 112.653 -179.667 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 98.1 m -82.91 56.79 3.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.935 0.398 . . . . 0.0 111.232 -179.582 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.9 m -134.26 162.82 31.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.761 179.797 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.0 ttt-85 -132.34 77.7 1.77 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.926 -179.947 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 69.99 -65.49 0.31 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.897 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.4 t -150.98 31.17 0.62 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.056 -179.738 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -156.77 145.94 20.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.509 HD11 ' O ' ' A' ' 35' ' ' ARG . 0.2 OUTLIER -54.85 128.74 34.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 179.964 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -57.4 159.93 7.95 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.942 -179.87 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.8 146.62 54.85 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.553 2.169 . . . . 0.0 112.374 179.98 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.07 103.44 2.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.024 179.87 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.64 31.53 1.34 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.634 179.971 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.476 HG22 ' H ' ' A' ' 21' ' ' THR . 1.2 m -98.43 172.3 7.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.768 0.318 . . . . 0.0 110.805 179.916 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.476 ' H ' HG22 ' A' ' 20' ' ' THR . 0.2 OUTLIER -121.9 113.7 19.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.871 -179.967 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.5 p -90.18 -34.74 15.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 57.4 t90 -167.76 95.86 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.3 ptt85 -100.32 154.55 18.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -136.63 -177.08 4.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.14 -32.94 33.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 179.972 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.8 m -84.3 -32.37 8.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.096 179.957 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.4 t -146.56 -170.61 3.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -158.95 126.89 5.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 29.0 m170 -100.04 101.65 12.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -105.0 147.66 27.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.0 m -88.34 134.89 33.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.799 179.93 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.8 t -95.42 18.68 12.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.155 -179.984 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.01 24.84 15.55 Favored Glycine 0 CA--C 1.518 0.27 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.761 179.957 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.509 ' O ' HD11 ' A' ' 15' ' ' LEU . 2.0 tpt180 -116.95 -37.76 3.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.787 0.327 . . . . 0.0 110.943 -179.915 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.458 ' HA ' HD11 ' A' ' 15' ' ' LEU . 36.9 m -142.69 151.82 41.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.676 ' SG ' HG22 ' A' ' 5' ' ' THR . 1.3 m -72.44 -22.6 61.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.944 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -78.26 115.33 17.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.81 179.914 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.0 m -61.71 153.67 70.15 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.09 150.93 66.91 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.533 2.156 . . . . 0.0 112.327 179.95 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 95.4 p -98.47 35.53 1.78 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -180.0 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.412 ' CD1' ' N ' ' A' ' 42' ' ' TYR . 3.7 p90 -158.08 154.62 24.6 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.18 163.45 1.57 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.548 2.166 . . . . 0.0 112.295 179.987 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.027 0 CA-C-O 118.372 -1.238 . . . . 0.0 112.516 179.988 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 41.3 m . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.818 0.342 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.7 p -59.04 112.87 1.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.732 179.832 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -113.24 143.84 43.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.926 -179.985 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.03 -156.91 26.98 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.508 -179.908 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.13 -44.65 0.25 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.642 2.228 . . . . 0.0 112.59 -179.812 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.7 m -95.89 57.64 1.84 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.097 -179.831 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.424 ' HB3' ' HA ' ' A' ' 15' ' ' LEU . 0.5 OUTLIER -173.86 135.08 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.88 179.838 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -133.39 150.83 51.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.627 179.878 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 66.74 -74.79 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -166.95 30.39 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.17 -179.831 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -164.33 158.81 19.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.806 0.336 . . . . 0.0 110.941 179.957 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.602 HD12 ' O ' ' A' ' 16' ' ' LYS . 4.0 pp -58.06 138.44 56.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.799 179.924 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.602 ' O ' HD12 ' A' ' 15' ' ' LEU . 0.8 OUTLIER -60.34 165.75 4.88 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.809 -179.884 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -65.23 143.16 76.41 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.557 2.171 . . . . 0.0 112.236 179.927 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.6 157.95 4.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.093 -179.989 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 62.03 24.17 64.66 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.566 -179.951 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 66.4 m -118.35 124.63 48.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.809 0.337 . . . . 0.0 110.833 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.853 HG21 ' HD2' ' A' ' 24' ' ' ARG . 1.4 t -57.38 146.33 29.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.0 -179.97 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.6 p -107.14 -40.62 5.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 -179.973 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 19.7 t90 -96.26 -70.83 0.7 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.978 179.978 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.853 ' HD2' HG21 ' A' ' 21' ' ' THR . 3.3 ttt180 61.15 155.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.922 179.985 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.427 HG23 ' O ' ' A' ' 24' ' ' ARG . 15.3 p -156.71 -78.19 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.971 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.93 -39.27 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.919 179.943 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.1 p -104.33 -32.34 2.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.065 179.991 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.9 m -125.0 107.4 10.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 179.959 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.8 m -100.09 164.85 11.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.982 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -133.35 -176.29 4.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -153.65 125.28 7.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.8 t -83.76 154.05 23.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.8 t -94.57 1.64 55.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.357 179.995 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.543 ' C ' HD13 ' A' ' 15' ' ' LEU . . . 55.32 39.24 71.5 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.608 -179.959 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.491 ' C ' HD22 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -117.72 -37.13 3.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.789 0.328 . . . . 0.0 111.084 -179.856 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.1 t -161.46 173.91 14.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.951 -179.95 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 98.9 m -69.92 -28.39 65.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.809 179.903 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -62.17 84.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.9 t -63.14 134.14 95.7 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.826 179.961 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.73 172.71 13.05 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.47 2.113 . . . . 0.0 112.287 179.984 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.0 t -114.33 35.13 4.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -106.12 86.7 2.12 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 179.954 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.99 97.13 0.64 Allowed 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.564 2.176 . . . . 0.0 112.288 179.984 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.087 0 CA-C-O 118.404 -1.22 . . . . 0.0 112.477 179.972 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.87 0.367 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 63.94 135.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.791 -179.922 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.43 138.88 52.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.983 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.72 -165.61 33.61 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.527 -179.988 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.36 -25.87 21.19 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.649 2.233 . . . . 0.0 112.494 -179.943 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -97.93 29.71 3.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.056 -179.888 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 62.5 m -124.38 140.35 53.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.663 179.841 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.2 mtt-85 -84.66 -89.37 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.077 -179.782 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -119.13 -22.0 7.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.659 0.266 . . . . 0.0 111.222 -179.917 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 179.43 37.96 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.979 -179.882 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? -167.07 147.44 5.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.931 -179.954 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.423 HD21 ' C ' ' A' ' 36' ' ' SER . 0.2 OUTLIER -58.54 118.59 5.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 179.93 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.419 ' CE ' HG21 ' A' ' 20' ' ' THR . 27.4 mtmt -56.66 155.35 14.69 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.924 -179.915 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -68.7 145.72 64.34 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.567 2.178 . . . . 0.0 112.33 179.997 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.423 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -57.42 123.12 14.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.112 179.978 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.91 -25.43 5.83 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.493 -179.899 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.419 HG21 ' CE ' ' A' ' 16' ' ' LYS . 3.2 m -67.31 120.73 14.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.795 0.331 . . . . 0.0 110.874 179.963 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.828 HG23 ' CD2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -80.54 140.36 35.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.939 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 15.8 p -104.61 -42.51 5.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.957 -179.989 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -115.03 144.81 43.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -176.27 92.05 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.966 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.9 t -81.36 -36.95 29.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.5 t -178.53 -39.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.4 p -117.74 -37.4 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.135 -179.973 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 m -62.16 155.78 23.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.961 -179.977 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 p -167.42 110.73 0.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 32.1 m-70 -119.74 96.07 5.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.828 ' CD2' HG23 ' A' ' 21' ' ' THR . 40.1 m-85 -73.91 154.37 39.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 35.4 m -74.41 147.22 42.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 179.952 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 20.7 p -92.95 6.73 46.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.272 179.935 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.423 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 51.73 27.82 20.98 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.778 179.887 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -136.92 -45.47 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.907 0.384 . . . . 0.0 111.135 -179.968 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.423 ' C ' HD21 ' A' ' 15' ' ' LEU . 1.4 m -123.31 140.51 52.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.899 -179.927 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.7 t -76.27 -13.31 60.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.27 179.898 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -83.82 102.54 12.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.824 0.345 . . . . 0.0 110.82 179.965 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -58.57 148.47 65.98 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.47 177.41 6.09 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.576 2.184 . . . . 0.0 112.303 -179.96 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.4 t -105.34 -31.19 9.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.953 179.928 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 28.2 p90 -84.84 149.98 54.84 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 179.967 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.0 -178.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.569 2.18 . . . . 0.0 112.332 -179.971 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.378 -1.234 . . . . 0.0 112.542 179.993 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.835 0.35 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.526 HG22 ' SG ' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -60.66 107.64 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.736 179.839 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.15 172.19 7.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.34 165.3 14.11 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.456 -179.991 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -52.97 -25.57 28.54 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.59 2.193 . . . . 0.0 112.373 179.971 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.6 t -107.64 25.91 10.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.097 -179.893 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.7 m -158.88 109.21 2.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 -124.79 144.41 50.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.675 179.839 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 64.04 14.72 8.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.343 -179.843 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.1 m 71.7 48.08 0.32 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.922 -179.817 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -155.84 125.32 6.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.66 179.831 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.508 HD11 ' CA ' ' A' ' 36' ' ' SER . 4.1 mm? -47.43 121.81 4.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.94 -179.906 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -49.58 151.62 2.82 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.067 -179.735 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.0 117.17 3.47 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.534 2.156 . . . . 0.0 112.374 -179.902 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.527 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -57.13 114.59 2.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.047 179.801 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.48 15.41 5.45 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.784 -179.926 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.429 HG22 ' HB2' ' A' ' 32' ' ' CYS . 12.8 t -114.04 173.93 6.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.632 0.253 . . . . 0.0 110.459 179.81 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.1 t -74.55 164.56 26.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.787 179.958 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.38 87.31 2.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.484 ' CH2' HG21 ' A' ' 25' ' ' THR . 1.0 OUTLIER 58.73 173.73 0.07 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.97 179.956 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -161.13 110.15 1.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.484 HG21 ' CH2' ' A' ' 23' ' ' TRP . 0.8 OUTLIER -122.49 29.92 6.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 -179.992 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 57.64 22.32 8.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.228 -179.977 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.624 HG22 ' O ' ' A' ' 27' ' ' VAL . 14.7 p -177.97 36.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.901 0.381 . . . . 0.0 111.102 179.914 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m 176.72 72.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.741 179.96 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.2 p -107.03 126.83 52.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.967 -179.92 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 -138.83 -162.94 1.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.584 179.897 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -136.95 145.2 43.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.875 0.369 . . . . 0.0 111.153 -179.934 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.429 ' HB2' HG22 ' A' ' 20' ' ' THR . 5.0 m -86.94 125.92 34.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.739 179.899 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.2 p -91.19 14.57 13.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.961 179.641 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.527 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 46.77 43.84 16.77 Favored Glycine 0 C--N 1.334 0.425 0 C-N-CA 120.894 -0.669 . . . . 0.0 112.83 179.963 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -139.42 -46.4 0.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 111.165 -179.806 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.508 ' CA ' HD11 ' A' ' 15' ' ' LEU . 3.7 m -131.54 148.43 52.62 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.025 -179.833 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.526 ' SG ' HG22 ' A' ' 5' ' ' THR . 29.1 m -72.67 -20.55 61.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.098 179.882 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -77.59 107.93 10.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 89.9 m -57.46 109.68 1.93 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.5 177.37 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.401 2.067 . . . . 0.0 112.271 179.97 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.42 31.54 3.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.862 -179.974 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -108.18 80.18 1.05 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.92 174.4 9.7 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.617 2.211 . . . . 0.0 112.278 -179.977 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.406 -1.219 . . . . 0.0 112.51 179.994 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 19.6 m . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.823 0.344 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.72 63.5 1.31 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.742 -179.885 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.63 142.5 27.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.109 -179.849 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.76 178.23 37.95 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.402 -179.961 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -69.0 -28.08 29.31 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.579 2.186 . . . . 0.0 112.275 179.987 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 37.2 t -100.56 40.25 1.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.978 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -144.1 112.93 6.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.916 -179.927 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.94 76.12 0.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.685 179.836 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 70.5 -65.14 0.34 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.98 -179.849 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m -147.66 28.88 0.94 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -141.77 143.89 33.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.828 -179.947 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.707 HD22 ' SG ' ' A' ' 37' ' ' CYS . 0.4 OUTLIER -59.62 113.82 2.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.968 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.8 ' HD3' HG21 ' A' ' 20' ' ' THR . 0.0 OUTLIER -57.92 132.79 83.39 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.762 179.948 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -50.57 140.18 36.8 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.461 2.107 . . . . 0.0 112.42 -179.914 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.17 148.11 23.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.959 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.96 -25.0 27.35 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.462 -179.888 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.8 HG21 ' HD3' ' A' ' 16' ' ' LYS . 70.4 m -69.0 109.39 3.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.841 0.353 . . . . 0.0 110.826 -179.993 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.556 HG23 ' CD1' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -77.51 133.76 38.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.841 -179.944 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 26.3 p -79.93 -41.05 26.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 -179.957 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.73 -69.57 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.967 179.958 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.01 80.61 0.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.876 179.937 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.6 p -105.49 -77.96 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 179.995 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 p -177.49 -39.41 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.932 179.935 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.0 p -90.08 -31.15 5.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.077 179.974 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.6 p -123.22 173.86 7.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 m -163.26 97.66 0.91 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -87.14 76.59 9.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.556 ' CD1' HG23 ' A' ' 21' ' ' THR . 38.6 m-85 -67.07 155.23 39.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.4 m -80.23 144.57 32.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.792 179.948 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.7 p -96.42 11.07 36.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.16 179.955 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.485 ' HA2' HD12 ' A' ' 15' ' ' LEU . . . 47.85 27.48 4.86 Favored Glycine 0 C--N 1.332 0.344 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.848 179.899 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 20.1 mtt-85 -128.81 -45.09 1.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.91 0.386 . . . . 0.0 111.022 -179.907 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.64 ' C ' HD21 ' A' ' 15' ' ' LEU . 37.9 m -115.47 166.01 12.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.83 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.707 ' SG ' HD22 ' A' ' 15' ' ' LEU . 16.3 m -109.0 21.35 17.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.998 179.913 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -127.44 110.59 12.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.723 179.784 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.79 145.44 51.98 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.044 -179.843 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -52.85 174.8 0.1 OUTLIER 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.584 2.189 . . . . 0.0 112.331 179.979 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 92.8 p -106.81 -31.57 8.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.94 179.934 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -99.26 156.43 35.44 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.01 134.38 27.32 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.576 2.184 . . . . 0.0 112.31 -179.986 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.375 -1.236 . . . . 0.0 112.523 179.995 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 85.8 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.839 0.352 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -71.17 65.88 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.649 179.771 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -48.67 133.63 16.84 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.319 -179.748 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.05 -170.15 43.25 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.386 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.41 ' HB2' ' CB ' ' A' ' 22' ' ' CYS . 41.6 Cg_endo -67.27 -43.14 6.53 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.538 2.159 . . . . 0.0 112.352 179.984 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.6 t -93.21 48.23 1.31 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.831 -179.994 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -144.72 117.53 8.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.734 -179.928 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.8 mmt180 -64.31 -87.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.837 -179.949 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -115.65 -25.93 7.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.803 0.335 . . . . 0.0 110.791 179.755 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 37.7 t -179.79 36.42 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.772 179.993 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -157.05 162.06 39.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.856 0.36 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.616 HD23 ' SG ' ' A' ' 37' ' ' CYS . 6.7 mt -70.5 118.94 13.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.759 179.905 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.5 mttm -53.87 165.48 0.75 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.705 179.957 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -49.9 123.5 10.87 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.465 2.11 . . . . 0.0 112.399 -179.889 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.516 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -49.35 108.48 0.2 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.145 179.945 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.24 26.45 4.6 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.223 -179.667 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.3 m -105.14 115.08 29.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.82 0.343 . . . . 0.0 110.835 -179.881 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 t -59.16 159.51 7.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.967 -179.999 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.41 ' CB ' ' HB2' ' A' ' 8' ' ' PRO . 4.2 p -120.35 -42.31 2.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 179.992 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -130.07 95.96 4.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.963 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -127.4 112.4 14.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.89 -31.86 9.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 m -176.31 -77.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.988 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.1 p -82.53 -32.54 10.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.042 -179.985 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.8 m -74.42 149.23 40.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.6 t -163.76 95.54 0.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.403 ' CG ' ' HA ' ' A' ' 43' ' ' PRO . 11.6 m170 -94.73 79.33 3.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.945 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -65.9 138.01 57.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.991 -179.958 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 14.0 t -80.29 158.98 25.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.83 179.882 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.601 HG23 ' HB2' ' A' ' 35' ' ' ARG . 5.5 t -106.95 14.42 26.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.272 -179.985 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.516 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 52.35 24.55 16.83 Favored Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.791 179.96 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.601 ' HB2' HG23 ' A' ' 33' ' ' THR . 39.3 mtp85 -114.33 -37.82 4.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.886 0.374 . . . . 0.0 110.86 -179.959 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.405 ' CA ' HD22 ' A' ' 15' ' ' LEU . 50.0 m -129.57 160.55 32.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.704 179.894 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.616 ' SG ' HD23 ' A' ' 15' ' ' LEU . 20.4 m -95.58 11.68 32.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.048 179.865 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.7 mp0 -130.23 114.66 15.94 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.657 179.763 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 9.8 m -56.65 136.62 77.79 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.031 -179.819 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.51 177.91 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.411 2.074 . . . . 0.0 112.261 179.993 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.5 m -74.77 -30.85 61.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.917 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 21.1 p90 -96.43 156.86 36.33 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.966 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.403 ' HA ' ' CG ' ' A' ' 30' ' ' HIS . 56.4 Cg_endo -70.52 179.67 3.93 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.546 2.164 . . . . 0.0 112.342 179.983 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.347 -1.252 . . . . 0.0 112.537 -179.963 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 57.5 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.803 0.335 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.748 HG23 ' SG ' ' A' ' 37' ' ' CYS . 2.2 t -82.05 71.83 9.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.526 179.715 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -45.89 127.34 8.08 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.499 -179.652 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.78 -166.99 31.32 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.308 179.997 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -73.99 -28.49 11.06 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.573 2.182 . . . . 0.0 112.281 179.991 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.95 30.67 4.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 179.879 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.61 111.19 17.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.632 179.978 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.92 -87.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.957 -179.812 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -119.02 -22.65 7.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.725 0.297 . . . . 0.0 111.107 179.977 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 176.2 36.38 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.851 -179.891 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.7 mttm -166.23 150.83 7.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.93 0.395 . . . . 0.0 111.045 -179.913 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.718 HD21 ' C ' ' A' ' 34' ' ' GLY . 16.2 tp -56.71 123.54 15.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.976 179.905 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -62.78 162.01 24.62 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.308 179.435 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -52.46 127.76 25.3 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.396 2.064 . . . . 0.0 112.25 -179.981 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.595 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -50.18 145.59 5.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.069 179.847 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.413 ' O ' ' CD1' ' A' ' 31' ' ' TYR . . . 73.38 14.41 79.37 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.613 -179.834 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 94.3 m -101.12 110.04 22.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.864 0.364 . . . . 0.0 110.801 179.937 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 t -51.9 131.69 31.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.177 179.949 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 28.1 p -100.55 -30.9 11.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 3.9 t90 -93.68 -61.8 1.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.015 0.436 . . . . 0.0 110.864 179.916 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.705 ' O ' HG23 ' A' ' 25' ' ' THR . 23.8 ttm-85 62.39 119.78 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.951 179.958 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.705 HG23 ' O ' ' A' ' 24' ' ' ARG . 0.7 OUTLIER -170.0 178.16 4.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.868 179.967 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 t -98.59 30.26 3.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.949 179.966 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -113.4 -33.12 2.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 -179.941 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.8 t -178.39 -38.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.6 p 62.88 146.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.449 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.6 m-70 -119.87 -169.36 1.76 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.413 ' CD1' ' O ' ' A' ' 19' ' ' GLY . 15.1 m-85 -149.83 148.19 28.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.805 179.913 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.14 132.46 51.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.97 0.414 . . . . 0.0 110.741 179.999 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.549 HG23 ' H ' ' A' ' 35' ' ' ARG . 8.8 t -75.55 -3.36 33.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.225 179.752 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.718 ' C ' HD21 ' A' ' 15' ' ' LEU . . . 56.06 24.31 42.67 Favored Glycine 0 C--N 1.332 0.337 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.565 -179.707 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.549 ' H ' HG23 ' A' ' 33' ' ' THR . 0.7 OUTLIER -126.55 -44.21 1.7 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.872 0.368 . . . . 0.0 111.103 -179.944 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.647 ' C ' HD13 ' A' ' 15' ' ' LEU . 25.0 p -144.71 161.55 38.92 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.795 179.891 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.748 ' SG ' HG23 ' A' ' 5' ' ' THR . 94.7 m -72.3 -22.94 61.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.942 179.99 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -74.34 99.3 3.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.701 179.834 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.3 m -58.69 144.45 80.15 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.001 -179.874 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.444 ' HB2' ' CD2' ' A' ' 42' ' ' TYR . 64.8 Cg_endo -73.71 177.79 7.6 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.61 2.207 . . . . 0.0 112.326 -179.984 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 95.6 p -107.17 31.25 5.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.948 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.444 ' CD2' ' HB2' ' A' ' 40' ' ' PRO . 14.7 m-85 -105.32 149.59 37.91 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.951 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.83 -26.58 27.09 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.55 2.167 . . . . 0.0 112.376 179.963 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.358 -1.245 . . . . 0.0 112.496 179.969 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.571 ' CB ' ' HA ' ' A' ' 13' ' ' CYS . 1.5 p . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.842 0.353 . . . . 0.0 111.086 . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.07 95.81 1.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.698 179.877 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.81 105.01 0.08 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.274 -179.858 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.18 -152.62 5.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.444 -179.965 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.33 -37.93 2.97 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.608 2.205 . . . . 0.0 112.356 -179.981 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -84.97 -28.72 25.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.047 -179.912 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.809 ' SG ' HD22 ' A' ' 15' ' ' LEU . 16.0 m -102.78 140.44 37.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.851 179.944 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.1 ttt85 -150.84 -55.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.223 -179.93 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -90.51 12.93 17.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.385 -179.88 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . 0.571 ' HA ' ' CB ' ' A' ' 4' ' ' CYS . 7.9 t 79.08 30.23 0.33 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.996 0.427 . . . . 0.0 110.704 -179.578 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.6 mmtt -146.11 106.0 3.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.057 179.564 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.809 HD22 ' SG ' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -40.47 113.31 0.35 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.287 -179.439 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -46.59 164.41 0.22 Allowed Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.199 -179.695 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -60.72 147.28 95.48 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.671 2.247 . . . . 0.0 112.367 -179.942 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.53 167.88 1.81 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.966 179.804 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 59.53 19.26 47.41 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.635 -179.893 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 93.6 m -102.83 103.67 13.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.845 0.355 . . . . 0.0 110.696 179.909 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.0 143.89 41.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.996 -179.912 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 33.6 m -84.44 -58.75 2.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -92.39 -79.01 0.4 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.97 83.76 0.12 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 179.99 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.8 p -115.18 -40.82 3.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.72 -38.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.949 179.966 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.8 t -111.89 -34.36 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.077 -179.986 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.99 146.52 27.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.4 t -165.36 78.27 0.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -102.68 102.47 12.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -76.05 143.65 41.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.3 m -83.59 145.64 28.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.952 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.0 p -103.33 22.71 13.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 179.836 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.04 27.39 22.14 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.69 -179.943 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -119.87 -69.87 0.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.94 0.4 . . . . 0.0 110.99 -179.936 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.725 ' C ' HD21 ' A' ' 15' ' ' LEU . 5.2 t -101.82 146.53 27.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.832 -179.936 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.661 ' N ' HD21 ' A' ' 15' ' ' LEU . 5.2 m -72.89 -17.89 61.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.021 179.947 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -92.54 111.38 22.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.818 0.342 . . . . 0.0 110.938 -179.975 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.6 m -61.61 110.28 2.99 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.808 179.985 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -68.59 176.99 5.16 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.46 2.106 . . . . 0.0 112.286 179.965 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.36 57.22 4.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.88 -179.997 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -116.18 81.54 10.53 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.26 157.59 6.38 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.52 2.147 . . . . 0.0 112.359 179.975 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.371 -1.238 . . . . 0.0 112.529 -179.977 . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 82.3 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.687 0.279 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.3 t 43.3 73.55 0.14 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.408 -179.922 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.7 p -58.47 129.45 42.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.953 -179.948 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.0 177.65 45.19 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.462 179.988 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -79.12 55.53 5.65 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.651 2.234 . . . . 0.0 112.508 -179.901 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -174.35 35.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.013 179.933 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.8 p -171.27 112.03 0.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.911 179.83 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.2 89.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.959 -179.958 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 68.71 -67.82 0.2 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.092 179.983 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 47.1 t -151.31 45.4 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.93 -179.89 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -147.39 119.5 8.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.761 179.87 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 35.7 mt -48.63 108.18 0.17 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.94 179.983 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.49 147.92 7.35 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.866 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -52.31 128.04 26.05 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.687 2.258 . . . . 0.0 112.198 179.955 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.75 116.87 2.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.266 -179.987 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.66 23.87 5.19 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.484 -179.924 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 69.5 m -110.95 123.01 49.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.793 0.33 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.79 154.56 18.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.9 p -123.07 -43.14 2.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.989 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 24.3 t90 -131.14 134.42 46.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.943 179.984 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -175.23 117.1 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 -179.998 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.2 t -106.55 -33.14 7.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.942 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 p -177.72 -39.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.932 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -110.47 -31.61 2.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.099 -179.987 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.9 t -74.6 149.32 40.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.5 t -173.54 103.35 0.12 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.439 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 2.7 m-70 -130.61 125.24 33.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.956 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -96.4 137.22 35.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.4 172.13 11.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.947 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.472 HG23 ' HB2' ' A' ' 35' ' ' ARG . 1.9 t -112.73 16.33 19.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.25 -179.977 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 53.57 24.6 25.09 Favored Glycine 0 C--N 1.332 0.325 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.766 179.944 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.472 ' HB2' HG23 ' A' ' 33' ' ' THR . 5.1 mmm180 -111.09 -32.93 6.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.828 0.347 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.4 m -143.7 172.97 12.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.7 t -103.42 16.99 25.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.899 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -123.24 104.2 9.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.868 179.93 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.5 m -59.4 148.18 74.03 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.43 177.54 6.61 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.541 2.16 . . . . 0.0 112.336 -179.993 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.2 m -91.72 -31.6 15.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 28.9 p90 -79.19 154.26 77.17 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.421 ' HA ' ' CE1' ' A' ' 30' ' ' HIS . 53.8 Cg_exo -52.24 153.48 12.87 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.569 2.179 . . . . 0.0 112.281 -179.967 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.389 -1.228 . . . . 0.0 112.465 -179.962 . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.2 m . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.674 0.273 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.451 HG23 ' HB2' ' A' ' 37' ' ' CYS . 3.7 t 43.43 70.79 0.28 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.381 -179.939 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 48.1 p -53.76 113.02 1.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.113 -179.911 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.73 173.23 38.07 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.532 -179.957 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.78 -22.02 27.85 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.616 2.211 . . . . 0.0 112.554 -179.978 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.01 24.56 5.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.257 -179.89 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 81.1 m -137.22 145.89 44.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.814 179.908 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -82.98 -85.47 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.045 -179.884 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -114.31 -25.34 8.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.963 -179.995 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 178.13 38.38 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.973 -179.939 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -157.11 142.8 17.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.943 -179.978 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.795 HD21 ' C ' ' A' ' 36' ' ' SER . 0.3 OUTLIER -58.54 115.25 2.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.809 179.987 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.7 mttt -55.55 159.9 4.39 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.0 -179.959 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -68.43 146.09 67.27 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.533 2.155 . . . . 0.0 112.324 179.995 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.82 146.45 21.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.114 179.927 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.02 -22.72 39.42 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.544 -179.916 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.0 m -67.71 106.82 2.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.854 0.359 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.914 HG23 ' CD2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -68.0 138.46 55.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.811 -179.978 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.1 p -117.45 -40.34 3.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.423 ' HB3' ' CD2' ' A' ' 30' ' ' HIS . 0.1 OUTLIER -93.6 85.12 4.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.997 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.1 mtt-85 -117.26 114.46 23.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.965 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.548 ' O ' HG23 ' A' ' 27' ' ' VAL . 18.9 p -136.54 31.92 2.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.979 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.0 m 60.69 31.45 20.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 179.974 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 25' ' ' THR . 21.4 t -140.93 -46.33 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 179.993 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -140.83 -176.24 4.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 m -147.87 121.11 8.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.423 ' CD2' ' HB3' ' A' ' 23' ' ' TRP . 11.4 m170 -105.49 82.77 1.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.948 179.981 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.914 ' CD2' HG23 ' A' ' 21' ' ' THR . 22.1 m-85 -60.16 150.52 29.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.999 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -80.1 145.96 32.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.2 p -98.08 13.48 30.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.912 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 48.97 27.21 6.45 Favored Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.765 179.975 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -121.3 -69.22 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.963 0.411 . . . . 0.0 111.111 -179.874 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.795 ' C ' HD21 ' A' ' 15' ' ' LEU . 3.7 m -117.37 150.24 39.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.953 -179.887 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.619 ' N ' HD21 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -72.76 -21.11 61.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.009 179.972 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -65.5 102.32 0.69 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 66.5 m -60.13 149.76 73.63 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 179.96 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.04 177.47 5.73 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.581 2.187 . . . . 0.0 112.312 179.978 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 t -123.89 35.61 4.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -161.92 156.21 18.92 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.999 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.98 127.04 13.86 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.592 2.195 . . . . 0.0 112.261 -179.994 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.487 179.974 . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.2 m . . . . . 0 CA--C 1.53 0.176 0 N-CA-C 111.595 0.22 . . . . 0.0 111.595 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 53.69 63.93 2.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.922 0.391 . . . . 0.0 110.88 -179.936 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.37 163.93 26.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.012 -179.859 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.16 179.64 24.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.426 -179.902 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -73.68 -26.96 13.2 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.55 2.167 . . . . 0.0 112.465 -179.938 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.0 t -111.8 68.15 0.66 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.001 0.429 . . . . 0.0 111.065 -179.913 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.6 m -135.29 -178.94 5.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.44 ' O ' ' CB ' ' A' ' 12' ' ' GLN . 5.9 ttt85 -129.52 43.32 3.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 179.991 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.44 ' CB ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER 87.0 -34.37 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.409 -179.991 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.1 t -169.13 33.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.761 0.315 . . . . 0.0 110.963 179.976 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.1 ttpt -166.45 146.49 6.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.858 179.95 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.804 HD11 ' C ' ' A' ' 36' ' ' SER . 0.1 OUTLIER -55.54 127.86 31.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.792 179.939 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.53 148.67 17.19 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.964 -179.904 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_exo -51.37 134.52 45.25 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.518 2.146 . . . . 0.0 112.342 -179.951 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.663 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -58.86 116.78 3.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.98 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.12 26.45 7.41 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.493 179.964 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.9 m -122.82 113.52 19.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.853 0.359 . . . . 0.0 110.838 -179.984 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 t -59.76 147.98 35.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 179.937 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 13.1 p -101.51 -32.36 10.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 8.3 t90 -131.12 110.13 10.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 179.973 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.01 141.05 51.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.36 35.04 0.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.972 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.544 ' O ' HG13 ' A' ' 27' ' ' VAL . 1.0 OUTLIER 60.32 34.14 20.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.952 -179.996 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.544 HG13 ' O ' ' A' ' 26' ' ' SER . 5.7 m -159.03 -44.69 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.206 179.998 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.0 p -127.05 120.42 28.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.6 p -131.56 110.35 10.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.432 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 4.6 m-70 -107.33 93.86 4.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -61.65 136.82 58.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.86 172.68 9.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 t -110.85 7.68 21.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.243 179.902 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.663 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 55.31 27.71 47.89 Favored Glycine 0 C--N 1.332 0.306 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.61 -179.966 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -124.51 -43.79 2.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.863 0.364 . . . . 0.0 111.038 -179.968 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.804 ' C ' HD11 ' A' ' 15' ' ' LEU . 19.6 m -130.9 148.74 52.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.963 -179.994 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.2 m -71.65 -22.02 61.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 179.92 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -79.85 108.38 13.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.7 m -59.77 147.17 79.33 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.31 177.58 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.565 2.176 . . . . 0.0 112.269 179.983 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.0 p -100.17 -31.29 11.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 54.6 p90 -87.66 160.41 47.45 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.428 ' HA ' ' CE1' ' A' ' 30' ' ' HIS . 53.4 Cg_exo -52.2 -176.9 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.61 2.207 . . . . 0.0 112.309 179.952 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.328 -1.262 . . . . 0.0 112.462 -179.998 . . . . . . . . 0 0 . 1 . 044 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 71.6 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.839 0.352 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.9 p -70.56 66.07 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.791 179.931 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -58.21 88.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.018 -179.93 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.28 -174.41 20.75 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 -179.977 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.3 -25.65 18.34 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.622 2.215 . . . . 0.0 112.426 -179.945 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 m -98.05 24.57 6.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.162 -179.876 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 33.2 m -145.07 150.02 36.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.785 179.872 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.97 126.52 36.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.027 -179.945 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 68.14 -68.9 0.16 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.11 179.907 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.8 t -175.62 36.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.927 -179.873 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -148.77 131.63 16.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.795 179.994 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.405 HD11 ' HA ' ' A' ' 36' ' ' SER . 0.2 OUTLIER -51.87 119.02 3.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 179.96 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.789 ' HD2' HG21 ' A' ' 20' ' ' THR . 24.7 mtmt -51.05 163.41 0.51 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.038 -179.853 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_endo -62.09 139.83 80.7 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.554 2.169 . . . . 0.0 112.288 179.996 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.79 115.49 3.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.043 179.974 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.01 24.95 5.29 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 -179.982 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.789 HG21 ' HD2' ' A' ' 16' ' ' LYS . 25.4 m -95.83 115.9 28.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.795 0.331 . . . . 0.0 110.827 -179.985 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.701 HG21 ' OG ' ' A' ' 29' ' ' SER . 0.0 OUTLIER -63.85 120.77 12.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 -179.993 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.1 p -113.66 31.21 6.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.973 179.968 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -176.86 85.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -97.17 140.65 31.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.8 p -145.16 -77.71 0.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.2 t -177.1 -39.6 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.929 179.973 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.3 p -99.07 -32.82 3.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.06 180.0 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.26 -169.15 1.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.966 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.701 ' OG ' HG21 ' A' ' 21' ' ' THR . 0.2 OUTLIER -165.42 -43.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.952 179.973 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 59.48 107.64 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.928 179.929 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -98.09 150.84 21.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.6 t -82.72 160.8 22.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.998 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.5 t -101.87 4.55 40.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.355 179.955 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 54.78 24.21 32.48 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.714 -179.947 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 32.6 ttt180 -117.05 -39.48 3.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.84 0.352 . . . . 0.0 110.916 -179.952 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.405 ' HA ' HD11 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -144.0 154.49 43.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.828 179.984 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.56 -24.84 62.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.926 179.983 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -63.02 97.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 60.7 m -57.92 109.71 1.99 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.93 -179.992 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -52.71 177.41 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.399 2.066 . . . . 0.0 112.307 179.955 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.9 p -108.28 39.66 1.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -105.45 87.94 2.4 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -69.35 122.72 9.51 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.529 2.153 . . . . 0.0 112.325 179.968 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.332 -1.26 . . . . 0.0 112.526 -179.98 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.838 0.351 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 5.3 mtt -131.04 -74.46 0.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -61.68 106.01 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m -76.19 -30.97 58.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.71 89.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.781 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.42 152.74 20.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.61 -160.49 28.79 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.498 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.69 -44.24 0.3 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.692 2.261 . . . . 0.0 112.551 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -98.92 63.07 1.35 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.012 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.6 m -139.56 134.94 32.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 47.8 ttt180 -78.35 69.15 4.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.771 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 69.09 -67.54 0.21 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.054 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -136.21 34.79 2.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.876 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.6 mttm -158.62 173.13 17.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.522 HD21 ' HA ' ' A' ' 36' ' ' SER . 6.0 mt -73.69 122.82 22.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.849 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? -60.81 138.89 93.58 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.692 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -62.51 143.78 93.6 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.503 2.135 . . . . 0.0 112.265 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.463 ' HB2' ' C ' ' A' ' 33' ' ' THR . . . -53.7 140.33 29.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.237 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.78 -13.13 29.72 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.675 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.8 m -75.86 117.26 17.41 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.831 0.348 . . . . 0.0 110.913 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.578 HG23 ' CD1' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -61.83 145.01 53.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.922 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.2 p -160.59 30.28 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 24.7 t-105 -177.7 66.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.719 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -124.22 111.32 15.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.3 p -125.73 -167.25 1.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.826 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -57.68 -30.12 65.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.981 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.571 ' O ' HG12 ' A' ' 27' ' ' VAL . 15.9 t -133.17 31.39 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.083 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.76 154.52 40.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 97.1 p -176.62 89.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.957 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.47 ' O ' HG22 ' A' ' 21' ' ' THR . 45.2 m170 -116.75 -178.15 3.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.578 ' CD1' HG23 ' A' ' 21' ' ' THR . 32.6 m-85 -143.24 168.96 18.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -86.48 152.67 22.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.463 ' C ' ' HB2' ' A' ' 18' ' ' ALA . 2.4 t -104.85 16.24 26.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.179 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.54 25.66 21.39 Favored Glycine 0 C--N 1.332 0.327 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.701 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.7 ttt180 -112.19 -34.4 5.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.804 0.335 . . . . 0.0 110.926 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.522 ' HA ' HD21 ' A' ' 15' ' ' LEU . 40.5 m -145.82 158.07 43.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.6 m -71.04 -26.91 63.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -77.82 138.13 38.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.958 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.08 136.34 82.16 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.26 161.22 46.8 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.46 2.106 . . . . 0.0 112.29 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.0 t -98.63 35.97 1.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -148.87 150.44 32.75 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.01 164.63 34.08 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.555 2.17 . . . . 0.0 112.306 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.426 -1.208 . . . . 0.0 112.502 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.825 0.345 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -158.78 97.63 1.44 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 24.5 p-10 -91.25 51.84 2.0 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.826 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.1 m 66.82 9.46 6.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.561 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.657 HG22 ' SG ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER 58.0 89.43 0.05 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.819 0.342 . . . . 0.0 110.846 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.7 p -109.96 148.57 31.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.984 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.17 -166.43 32.08 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.391 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -84.53 43.97 1.42 Allowed 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.791 2.328 . . . . 0.0 112.735 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.403 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 18.4 t -177.07 36.59 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.879 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 m -130.24 150.72 51.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.457 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.2 mtp180 -90.77 -90.84 0.15 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.956 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -119.69 -22.82 6.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.719 0.295 . . . . 0.0 111.012 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 37.2 t -177.79 36.65 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.759 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -167.06 148.1 5.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.926 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.825 HD11 ' HA ' ' A' ' 36' ' ' SER . 0.2 OUTLIER -57.51 121.66 10.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.874 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.28 150.95 50.67 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.835 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -65.38 148.74 88.42 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.592 2.195 . . . . 0.0 112.331 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.35 155.16 2.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.192 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.8 -20.73 47.31 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.537 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.3 m -70.75 112.57 7.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.843 0.354 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.55 HG23 ' CD2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -77.46 135.83 38.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.808 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.9 p -106.16 -31.92 8.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -143.78 103.88 4.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.5 ptt180 -142.36 137.26 30.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.7 p -137.81 38.54 2.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.525 ' O ' HG13 ' A' ' 27' ' ' VAL . 1.5 m 60.69 36.19 19.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.525 HG13 ' O ' ' A' ' 26' ' ' SER . 6.6 m -158.74 -44.84 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.8 m -133.8 78.99 1.8 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.902 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.1 m -71.2 134.53 46.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 20.3 m170 -119.9 80.28 1.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.55 ' CD2' HG23 ' A' ' 21' ' ' THR . 55.7 m-85 -68.68 159.82 31.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.1 m -92.01 143.67 26.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.6 p -96.56 9.96 39.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 50.47 25.95 9.31 Favored Glycine 0 C--N 1.332 0.332 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.803 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.1 mtt-85 -115.01 -36.2 4.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.873 0.368 . . . . 0.0 111.03 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.825 ' HA ' HD11 ' A' ' 15' ' ' LEU . 9.9 t -140.59 146.68 38.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.857 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.657 ' SG ' HG22 ' A' ' 5' ' ' THR . 0.5 OUTLIER -72.4 -20.52 61.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.92 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -92.52 116.15 28.74 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.817 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.3 m -59.87 148.74 75.61 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.57 176.02 7.96 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.581 2.188 . . . . 0.0 112.305 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.95 31.51 5.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 28.0 p90 -145.91 156.2 51.58 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.943 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.87 179.53 3.69 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.564 2.176 . . . . 0.0 112.255 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.421 -1.211 . . . . 0.0 112.514 -179.999 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.851 0.358 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 4.1 mtt -134.78 130.16 35.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -102.18 177.64 4.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.4 m -105.03 -33.91 8.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.402 ' CG2' ' CB ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER 60.59 77.46 0.32 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.813 -179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -62.9 117.47 6.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.61 -178.84 47.51 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.497 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -69.33 -35.24 14.29 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.633 2.222 . . . . 0.0 112.285 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 25.9 t -66.41 -15.16 63.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.284 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 79.6 m -110.48 145.92 36.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.721 0.296 . . . . 0.0 110.767 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -71.32 -87.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.06 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -117.59 -22.88 7.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.672 0.273 . . . . 0.0 111.112 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 179.75 37.18 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.992 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.09 144.91 8.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.871 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.608 HD21 ' C ' ' A' ' 36' ' ' SER . 0.3 OUTLIER -57.93 117.28 4.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.833 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.813 ' CE ' HG21 ' A' ' 20' ' ' THR . 12.8 mtpp -57.75 156.97 16.02 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_exo -51.92 144.71 35.1 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.57 2.18 . . . . 0.0 112.355 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.25 111.16 0.99 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.099 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 133.38 -8.12 5.02 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.745 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.813 HG21 ' CE ' ' A' ' 16' ' ' LYS . 32.2 m -70.05 111.1 5.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.858 0.361 . . . . 0.0 110.872 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.717 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -75.58 144.2 41.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.2 m -100.22 -74.64 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 19.7 t90 -109.19 79.53 1.23 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.9 ptt180 -75.98 126.57 31.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.479 HG22 ' H ' ' A' ' 26' ' ' SER . 0.2 OUTLIER -148.54 -176.74 5.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.479 ' H ' HG22 ' A' ' 25' ' ' THR . 36.6 m -85.51 -31.48 22.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -93.46 -32.47 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.179 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.8 t -140.53 160.07 40.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.9 m -170.26 104.56 0.29 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.626 ' O ' HG22 ' A' ' 21' ' ' THR . 7.7 m170 -81.67 -178.93 7.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.717 ' CE2' HG23 ' A' ' 21' ' ' THR . 8.8 m-85 -159.22 161.91 36.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 63.5 m -102.01 122.64 44.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.756 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.7 p -94.67 21.49 7.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.97 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 49.63 26.37 7.59 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.821 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.8 mtt180 -120.63 -41.55 2.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.876 0.369 . . . . 0.0 111.0 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.608 ' C ' HD21 ' A' ' 15' ' ' LEU . 2.4 m -140.03 145.29 37.57 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.826 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.402 ' CB ' ' CG2' ' A' ' 5' ' ' THR . 0.8 OUTLIER -71.89 -20.5 61.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.965 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -74.4 91.17 2.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.808 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.4 m -55.82 108.96 1.35 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.002 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.402 ' O ' ' CG ' ' A' ' 30' ' ' HIS . 53.4 Cg_exo -52.43 170.87 0.23 Allowed 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.445 2.097 . . . . 0.0 112.295 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.1 t -114.92 69.92 0.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -121.14 87.6 44.22 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.01 116.25 2.67 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.597 2.198 . . . . 0.0 112.293 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.368 -1.24 . . . . 0.0 112.496 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.786 0.327 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.9 mtt -138.62 31.59 2.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.938 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -103.46 164.88 11.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -102.14 -26.46 13.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.805 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 65.97 106.28 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.972 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -106.15 146.87 29.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.82 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.16 -154.33 25.46 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.631 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -77.45 -45.43 0.16 Allowed 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.716 2.277 . . . . 0.0 112.752 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.7 t -94.8 55.67 1.91 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.968 0.413 . . . . 0.0 111.174 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.1 m -137.62 109.55 7.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.973 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.8 ttt-85 -73.34 98.95 2.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.493 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 70.97 -65.75 0.33 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.597 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -166.14 42.42 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.606 179.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -155.76 157.11 35.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.803 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.695 HD21 ' N ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -59.91 119.26 7.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.7 mmtp -59.28 159.12 16.67 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -66.07 144.45 75.82 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.52 2.147 . . . . 0.0 112.335 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.87 157.58 12.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.073 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 65.25 22.75 69.43 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.539 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 85.9 m -114.8 128.51 56.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.789 0.328 . . . . 0.0 110.829 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.79 144.18 49.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.9 p -125.62 -43.51 1.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 15.7 t90 -114.32 84.7 2.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -65.99 166.17 11.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.477 HG22 ' H ' ' A' ' 26' ' ' SER . 0.2 OUTLIER -160.03 -176.97 5.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.477 ' H ' HG22 ' A' ' 25' ' ' THR . 1.5 m -74.49 -31.42 62.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.562 HG22 ' O ' ' A' ' 27' ' ' VAL . 12.3 p -159.71 49.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.04 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m -151.24 -78.11 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.0 m 60.26 110.46 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -87.7 150.63 23.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -108.62 162.68 13.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.93 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 m -111.92 169.39 8.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.48 HG22 ' CZ ' ' A' ' 42' ' ' TYR . 6.5 p -118.77 16.28 13.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.207 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.39 24.94 18.42 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.684 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -116.08 -35.6 4.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.758 0.314 . . . . 0.0 111.06 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.559 ' C ' HD21 ' A' ' 15' ' ' LEU . 1.4 m -139.51 153.48 47.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.044 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.695 ' N ' HD21 ' A' ' 15' ' ' LEU . 1.0 OUTLIER -71.62 -24.22 61.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.967 179.857 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -79.48 156.8 27.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.14 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.5 m -113.39 95.55 36.27 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.623 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -67.96 66.67 0.93 Allowed 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.471 2.114 . . . . 0.0 112.618 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 43.55 30.92 0.38 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.674 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.48 ' CZ ' HG22 ' A' ' 33' ' ' THR . 0.1 OUTLIER -59.66 110.63 2.92 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.871 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.53 -176.28 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.403 2.069 . . . . 0.0 112.293 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.407 -1.218 . . . . 0.0 112.506 -179.93 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.298 0 CA-C-O 120.812 0.339 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 5.3 mtp -73.77 152.97 40.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -176.61 -55.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 57.3 m -154.18 110.84 3.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 62.3 p -72.24 105.91 4.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.778 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.85 154.79 18.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.014 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.34 -170.83 24.9 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.489 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.62 -38.45 5.9 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.563 2.175 . . . . 0.0 112.403 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.406 ' CB ' ' HA ' ' A' ' 37' ' ' CYS . 0.9 OUTLIER -89.11 53.69 2.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.041 0.448 . . . . 0.0 110.85 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 179.17 127.01 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.718 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -61.21 -88.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.035 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -122.9 -19.64 6.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.629 0.252 . . . . 0.0 111.401 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.8 t -177.01 36.0 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.094 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -151.73 124.71 8.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.807 0.336 . . . . 0.0 110.768 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.437 HD21 ' HA ' ' A' ' 36' ' ' SER . 9.3 mt -51.78 110.86 0.51 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.753 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.5 mttt -47.85 147.92 3.08 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.042 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.62 135.02 37.36 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.495 2.13 . . . . 0.0 112.448 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.451 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -57.01 119.28 6.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.99 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.45 17.78 7.44 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.551 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 86.7 m -113.68 113.97 25.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.792 0.329 . . . . 0.0 110.783 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.749 HG22 ' H ' ' A' ' 30' ' ' HIS . 0.0 OUTLIER -61.56 135.74 57.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.829 -179.878 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.5 p -108.83 -40.61 4.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.427 ' CD1' ' HB3' ' A' ' 28' ' ' SER . 16.3 t-105 -112.36 82.49 1.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.844 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -148.63 76.76 1.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.2 t -74.95 -33.06 61.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -177.23 -40.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -111.55 -31.65 2.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.1 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.427 ' HB3' ' CD1' ' A' ' 23' ' ' TRP . 31.5 m -73.58 173.87 9.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.404 ' O ' ' CD2' ' A' ' 30' ' ' HIS . 0.4 OUTLIER -176.62 124.21 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.94 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.749 ' H ' HG22 ' A' ' 21' ' ' THR . 35.6 m-70 -150.49 93.32 1.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.718 ' CD1' HG23 ' A' ' 21' ' ' THR . 4.3 m-85 -65.27 150.12 48.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 9.0 t -86.53 143.4 27.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.7 p -93.69 6.6 47.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.245 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.451 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 46.86 56.48 7.53 Favored Glycine 0 C--N 1.333 0.396 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.855 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 32.0 mtp85 -154.86 -45.82 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.904 0.383 . . . . 0.0 111.192 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.437 ' HA ' HD21 ' A' ' 15' ' ' LEU . 44.1 t -136.98 157.82 45.86 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.058 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.406 ' HA ' ' CB ' ' A' ' 9' ' ' CYS . 51.9 m -71.93 -25.97 62.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -66.29 93.96 0.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.834 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.91 156.33 26.3 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.95 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -51.96 148.65 22.7 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.63 2.22 . . . . 0.0 112.293 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 79.4 p -83.67 -31.57 26.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 20.9 p90 -104.26 151.04 39.01 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.18 126.93 21.83 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.561 2.174 . . . . 0.0 112.295 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.029 0 CA-C-O 118.443 -1.198 . . . . 0.0 112.51 -179.987 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.804 0.335 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 86.2 mtp -93.31 -41.5 9.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 60.39 162.8 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 65.4 m -63.31 108.78 1.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.7 m -78.33 69.23 4.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.71 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -48.34 116.49 1.58 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.305 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.86 179.33 44.39 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.357 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -69.22 -25.28 31.24 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.587 2.191 . . . . 0.0 112.389 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -100.28 30.19 3.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -127.54 159.52 34.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.754 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.8 mtp85 -120.17 80.54 1.62 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.711 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER 70.96 -64.12 0.39 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -154.35 27.87 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.957 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 31.5 tttt -148.73 139.29 22.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.784 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 mt -54.19 122.43 10.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.8 151.8 30.34 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.866 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo -51.57 134.65 46.87 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.54 2.16 . . . . 0.0 112.397 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.675 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -58.87 116.71 3.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.87 25.65 7.47 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.586 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.4 m -111.33 111.38 22.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 0.0 110.864 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 t -54.58 155.07 4.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.027 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 7.7 p -107.25 -40.29 5.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.937 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 18.0 t90 -98.78 -74.53 0.58 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 58.26 104.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.948 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.76 -36.23 5.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.4 p -178.7 -39.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.899 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.591 HG22 ' O ' ' A' ' 27' ' ' VAL . 13.4 p -153.68 45.19 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.008 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.402 ' O ' ' CD2' ' A' ' 30' ' ' HIS . 0.3 OUTLIER -142.18 33.71 1.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.92 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.5 m -66.25 85.56 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.402 ' CD2' ' O ' ' A' ' 28' ' ' SER . 36.1 m170 -60.18 -33.63 72.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 62.65 136.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.009 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.4 t -78.08 171.91 14.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.5 HG23 ' HB2' ' A' ' 35' ' ' ARG . 1.7 t -113.58 10.6 18.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.298 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.675 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 55.19 25.18 38.84 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.732 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.5 ' HB2' HG23 ' A' ' 33' ' ' THR . 6.3 mtt-85 -109.82 -68.13 0.94 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.988 0.423 . . . . 0.0 110.802 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 5.7 t -109.46 172.49 6.82 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.756 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 66.7 m -105.67 19.07 21.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.052 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -113.32 83.59 1.86 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.677 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.0 t -48.76 105.75 0.54 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.224 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.89 177.95 5.15 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.436 2.09 . . . . 0.0 112.288 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.9 m -94.37 45.56 1.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -83.69 161.14 57.06 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.97 177.46 5.7 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.615 2.21 . . . . 0.0 112.315 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.365 -1.242 . . . . 0.0 112.496 179.952 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.86 0.362 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 8.8 mtt -101.62 -37.36 8.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 60.47 31.57 20.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.941 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.2 m -107.0 -10.81 15.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.319 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.3 t 43.48 88.52 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.904 0.383 . . . . 0.0 111.331 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -79.56 164.58 23.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.007 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.22 176.71 15.28 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.506 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.62 -25.4 20.85 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.581 2.187 . . . . 0.0 112.441 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -94.19 46.24 1.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.992 0.425 . . . . 0.0 110.96 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.2 m -126.19 163.52 22.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.736 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.437 ' O ' ' HB2' ' A' ' 12' ' ' GLN . 0.3 OUTLIER -92.66 -29.99 15.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.993 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.437 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 11.8 tm0? 170.88 -30.21 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.959 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -164.71 31.46 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.798 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.5 mttp -172.36 172.56 4.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.744 HD11 ' O ' ' A' ' 35' ' ' ARG . 0.3 OUTLIER -59.73 139.12 57.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.478 ' CE ' HG21 ' A' ' 20' ' ' THR . 9.0 tttt -83.11 145.81 50.07 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.808 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.55 142.19 49.93 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.504 2.136 . . . . 0.0 112.33 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.52 109.31 0.87 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.077 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.64 23.28 4.77 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.63 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.478 HG21 ' CE ' ' A' ' 16' ' ' LYS . 21.5 m -108.14 115.07 29.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.819 0.342 . . . . 0.0 110.78 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.01 149.33 27.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.964 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 56.3 m -84.38 -45.59 12.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.405 ' CZ3' HG21 ' A' ' 25' ' ' THR . 29.2 t90 -154.53 81.08 1.11 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -68.88 133.58 48.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.434 HG23 HG22 ' A' ' 27' ' ' VAL . 8.9 t -162.84 33.59 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.6 t 78.17 -56.47 0.48 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.077 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.434 HG22 HG23 ' A' ' 25' ' ' THR . 18.3 m -81.23 -32.16 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.113 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.4 t -107.56 146.68 31.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.9 m -173.46 79.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 -106.43 97.58 7.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -73.29 137.3 44.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 94.0 m -71.25 155.63 40.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.7 p -102.78 14.55 31.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.195 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 50.03 26.04 8.3 Favored Glycine 0 C--N 1.333 0.373 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.798 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.744 ' O ' HD11 ' A' ' 15' ' ' LEU . 3.8 tpp85 -118.15 -38.24 3.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.834 0.35 . . . . 0.0 111.049 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.406 ' N ' HD21 ' A' ' 15' ' ' LEU . 2.1 m -141.59 172.59 12.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.829 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -102.56 16.47 26.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.098 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -110.65 107.37 16.93 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.54 147.88 67.97 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.947 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.48 177.11 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.539 2.159 . . . . 0.0 112.313 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 38.4 t -102.7 -32.02 10.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 18.4 p90 -98.12 161.1 26.62 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.18 144.21 39.25 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.561 2.174 . . . . 0.0 112.33 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.398 -1.223 . . . . 0.0 112.521 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.841 0.353 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 45.8 ttm 60.51 86.36 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.7 t70 60.34 162.22 0.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -177.17 -39.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.815 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.568 HG22 ' HB2' ' A' ' 37' ' ' CYS . 0.2 OUTLIER 66.09 109.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.87 129.03 56.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.65 -168.89 41.47 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.474 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.43 -26.62 20.13 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.632 2.221 . . . . 0.0 112.39 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 36.9 t -98.74 10.45 41.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.426 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 94.0 m -116.19 143.31 45.67 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.85 0.357 . . . . 0.0 110.897 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.1 ttt85 -95.68 98.74 10.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.806 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 69.18 -68.34 0.19 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -159.44 37.27 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.693 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.5 tttm -152.05 145.6 24.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.752 HD21 ' N ' ' A' ' 36' ' ' SER . 0.2 OUTLIER -57.83 121.69 11.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.3 mttt -57.17 156.28 14.83 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.956 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.53 145.17 75.68 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.578 2.185 . . . . 0.0 112.306 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.27 115.65 5.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.041 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.77 22.2 5.11 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.615 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.441 HG22 ' H ' ' A' ' 21' ' ' THR . 2.1 m -101.16 169.56 8.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.841 0.353 . . . . 0.0 110.77 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.441 ' H ' HG22 ' A' ' 20' ' ' THR . 0.0 OUTLIER -86.58 170.2 12.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.8 t -151.59 -46.95 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.435 ' HB3' ' CD2' ' A' ' 30' ' ' HIS . 0.1 OUTLIER -131.1 92.03 3.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.689 ' O ' HG23 ' A' ' 25' ' ' THR . 34.6 mtp180 -93.88 135.44 35.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.689 HG23 ' O ' ' A' ' 24' ' ' ARG . 0.8 OUTLIER -168.96 -176.83 2.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.6 m -98.26 35.64 1.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -151.99 -45.88 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.157 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.6 m -131.96 169.45 16.29 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.5 t -151.37 95.58 2.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.435 ' CD2' ' HB3' ' A' ' 23' ' ' TRP . 13.3 m-70 -80.65 138.23 36.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -122.23 147.52 46.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.6 m -92.42 133.66 35.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.0 t -92.02 12.47 21.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.284 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 49.96 26.85 9.05 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.752 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 11.0 ttt-85 -102.77 -35.63 8.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.358 . . . . 0.0 110.95 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.752 ' N ' HD21 ' A' ' 15' ' ' LEU . 74.6 m -160.82 167.92 25.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.568 ' HB2' HG22 ' A' ' 5' ' ' THR . 0.1 OUTLIER -72.14 -29.5 64.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.28 90.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.961 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.1 t -59.01 109.6 2.01 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -69.5 170.25 16.7 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.403 2.068 . . . . 0.0 112.326 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.6 t -115.18 70.15 0.74 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -114.93 86.33 13.25 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.17 112.75 0.94 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.576 2.184 . . . . 0.0 112.335 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.082 0 CA-C-O 118.414 -1.214 . . . . 0.0 112.484 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.839 0.352 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 6.5 mtt -132.56 176.55 8.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -94.14 116.57 29.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m 62.0 116.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.484 HG22 ' HA ' ' A' ' 14' ' ' LYS . 10.2 t -72.76 161.78 30.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.4 p -123.14 155.38 37.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.48 179.81 17.97 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.53 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -79.8 -15.35 12.08 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.71 2.273 . . . . 0.0 112.999 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.417 ' HB3' ' HA ' ' A' ' 37' ' ' CYS . 35.4 t -93.85 18.62 10.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.672 0.272 . . . . 0.0 111.523 -179.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.2 p -138.95 166.48 24.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.759 0.314 . . . . 0.0 110.733 179.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.34 46.33 1.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.054 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.1 mm100 69.12 7.91 6.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.646 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -151.12 -46.57 0.12 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.725 0.297 . . . . 0.0 110.935 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.484 ' HA ' HG22 ' A' ' 5' ' ' THR . 1.3 mmmp? -143.21 158.04 43.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.678 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.756 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -44.3 154.67 0.11 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.175 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.7 mttm -89.6 172.15 7.69 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.696 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo -51.01 131.94 36.46 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.481 2.121 . . . . 0.0 112.283 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -53.37 108.46 0.34 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.19 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 136.55 -10.84 4.04 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.732 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.74 174.85 0.42 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.816 0.341 . . . . 0.0 110.882 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.494 HG21 ' HD3' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -110.93 154.28 24.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.96 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.0 t -125.65 89.82 3.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER 62.45 117.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.923 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.494 ' HD3' HG21 ' A' ' 21' ' ' THR . 34.9 mtp180 -144.7 93.08 2.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.2 t -94.42 -36.43 11.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.987 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.7 m -178.76 -39.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.923 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.4 p -113.31 -34.48 2.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.16 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -64.77 81.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.905 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.7 p -99.81 79.99 2.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -104.78 -178.36 3.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -156.55 165.55 35.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.3 m -103.68 122.46 45.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.613 HG23 ' HG3' ' A' ' 35' ' ' ARG . 1.4 t -73.32 -6.57 46.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.338 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 63.87 19.72 63.56 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.897 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.613 ' HG3' HG23 ' A' ' 33' ' ' THR . 2.3 ppt_? -114.65 -30.99 6.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.785 0.326 . . . . 0.0 110.991 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.717 ' HA ' HD12 ' A' ' 15' ' ' LEU . 1.7 m -155.75 148.17 23.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.592 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.417 ' HA ' ' HB3' ' A' ' 9' ' ' CYS . 18.0 t -73.43 -19.66 60.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.185 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -57.88 89.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.842 0.353 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.86 109.45 1.72 Allowed Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.13 174.19 0.1 OUTLIER 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.418 2.078 . . . . 0.0 112.351 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.4 m -94.95 -31.69 13.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 16.8 p90 -74.41 149.59 86.67 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.1 -27.06 25.31 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.553 2.169 . . . . 0.0 112.332 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.092 0 CA-C-O 118.443 -1.198 . . . . 0.0 112.54 -179.975 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.81 0.338 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.9 tpt -107.86 79.8 1.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.45 140.84 29.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.405 ' HB3' ' HB2' ' A' ' 13' ' ' CYS . 0.1 OUTLIER 63.15 122.8 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.7 p -87.33 173.89 8.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.82 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.67 136.94 36.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.043 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.408 ' HA3' ' HB3' ' A' ' 37' ' ' CYS . . . 149.89 166.17 13.13 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.457 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.53 61.12 6.0 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.611 2.208 . . . . 0.0 112.648 -179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -179.04 43.4 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.928 179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -168.14 131.28 1.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.87 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.1 ttt85 -60.23 106.48 0.53 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.417 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 67.72 -73.08 0.09 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.948 0.404 . . . . 0.0 110.136 -179.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.405 ' HB2' ' HB3' ' A' ' 4' ' ' CYS . 14.1 p -156.05 29.53 0.35 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.735 179.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -126.31 127.48 45.62 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.952 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.501 HD21 ' CA ' ' A' ' 36' ' ' SER . 36.3 mt -44.69 116.68 1.11 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.389 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.11 155.89 23.04 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.689 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -58.58 130.38 36.94 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.567 2.178 . . . . 0.0 112.257 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -52.1 113.01 0.89 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.172 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.7 26.74 4.06 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.441 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.2 m -125.66 119.1 27.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.803 0.335 . . . . 0.0 110.766 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.816 HG23 ' O ' ' A' ' 30' ' ' HIS . 0.2 OUTLIER -58.68 156.42 10.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.991 -179.871 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.9 p -103.81 -43.96 5.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.954 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -94.63 -43.3 8.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? 57.45 79.82 0.18 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.962 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.46 HG22 ' H ' ' A' ' 26' ' ' SER . 0.2 OUTLIER -135.6 -173.54 3.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.46 ' H ' HG22 ' A' ' 25' ' ' THR . 32.8 m -79.35 -31.33 42.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -102.09 -30.63 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.11 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -93.93 106.04 18.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.7 m -116.73 31.54 6.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.902 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.816 ' O ' HG23 ' A' ' 21' ' ' THR . 34.2 m-70 -60.9 -172.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.406 ' CD1' ' O ' ' A' ' 30' ' ' HIS . 27.2 m-85 -164.73 154.95 14.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.47 132.03 35.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.753 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.9 p -94.57 17.31 13.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 48.54 27.22 5.78 Favored Glycine 0 C--N 1.332 0.347 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.805 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -120.94 -41.67 2.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.887 0.375 . . . . 0.0 111.015 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.501 ' CA ' HD21 ' A' ' 15' ' ' LEU . 3.1 m -140.69 148.35 40.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.868 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.408 ' HB3' ' HA3' ' A' ' 7' ' ' GLY . 84.1 m -72.48 -20.94 61.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.001 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -72.95 101.63 3.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.77 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.45 146.51 63.53 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -53.11 177.64 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.487 2.125 . . . . 0.0 112.274 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.2 p -124.33 31.61 5.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.837 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -121.79 88.05 46.92 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo -51.79 106.04 0.13 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.559 2.173 . . . . 0.0 112.315 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.553 179.963 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.847 0.356 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 16.1 mtt -102.41 -35.33 8.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.24 172.12 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.3 m -102.56 112.57 25.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 66.6 p -62.21 167.76 3.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.964 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.1 p -155.85 114.59 3.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.23 -166.3 39.41 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.565 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -78.07 -38.04 0.7 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.696 2.264 . . . . 0.0 112.732 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.81 -37.75 73.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.018 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 15' ' ' LEU . 30.7 p -99.06 152.14 20.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.708 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 mtt-85 -69.62 -88.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.936 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -133.36 -19.97 2.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.248 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.0 m -135.13 -27.93 1.2 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -179.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.46 164.23 30.89 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.02 0.438 . . . . 0.0 111.387 -179.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.697 HD22 ' C ' ' A' ' 35' ' ' ARG . 3.4 pp -54.55 144.11 22.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.841 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.891 ' HD2' HG21 ' A' ' 20' ' ' THR . 21.9 mttt -80.25 160.46 67.95 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.62 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 62.6 Cg_exo -51.32 136.47 47.06 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.535 2.157 . . . . 0.0 112.267 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.61 111.93 0.62 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.189 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 134.46 -8.22 4.65 Favored Glycine 0 CA--C 1.52 0.354 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.691 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.891 HG21 ' HD2' ' A' ' 16' ' ' LYS . 2.5 m -74.4 115.92 14.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.824 0.345 . . . . 0.0 110.706 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.408 HG23 ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -66.57 153.27 43.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.063 -179.793 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -92.31 -67.97 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.919 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.401 ' CE2' ' OG1' ' A' ' 25' ' ' THR . 18.4 t90 -96.4 -70.17 0.73 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 60.7 95.33 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.401 ' OG1' ' CE2' ' A' ' 23' ' ' TRP . 0.2 OUTLIER -107.0 -32.81 7.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -174.55 -77.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -93.73 -31.14 4.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.091 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -87.9 127.5 35.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 18.2 m -134.91 130.3 35.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.4 ' CE1' ' HG3' ' A' ' 43' ' ' PRO . 23.4 m-70 -105.35 78.39 1.37 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.408 ' CD1' HG23 ' A' ' 21' ' ' THR . 64.6 m-85 -63.78 141.28 58.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 11.8 t -86.92 133.6 33.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.812 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.0 t -76.59 -4.95 45.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.411 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.572 ' C ' HD13 ' A' ' 15' ' ' LEU . . . 63.38 28.29 72.1 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.361 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.697 ' C ' HD22 ' A' ' 15' ' ' LEU . 44.0 ttt-85 -105.38 -30.23 9.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.748 0.309 . . . . 0.0 110.927 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.1 p -166.68 163.91 16.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.939 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 18.3 t -72.38 -24.06 61.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.008 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.45 85.85 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.846 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.55 109.03 1.41 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.985 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.67 177.46 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.445 2.097 . . . . 0.0 112.322 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.2 m -118.03 36.79 4.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -114.49 87.56 14.26 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.4 ' HG3' ' CE1' ' A' ' 30' ' ' HIS . 53.8 Cg_exo -52.18 124.72 15.51 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.572 2.181 . . . . 0.0 112.272 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.081 0 CA-C-O 118.398 -1.223 . . . . 0.0 112.506 179.95 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.809 0.338 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 4.3 tpt -172.03 154.93 3.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.7 t70 60.53 32.74 20.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.33 -28.7 16.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.67 HG22 ' SG ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER 61.01 105.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.866 179.913 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.585 HG22 ' C ' ' A' ' 12' ' ' GLN . 18.8 p -125.56 135.57 52.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.0 -162.13 26.91 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.579 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.0 -61.45 0.43 Allowed 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.642 2.228 . . . . 0.0 112.385 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.5 m -90.72 51.29 1.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.024 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -146.62 153.65 40.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.685 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 -95.71 33.99 1.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.585 ' C ' HG22 ' A' ' 6' ' ' THR . 2.0 tp60 69.32 9.82 7.48 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.414 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -179.38 -32.58 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.422 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.32 138.58 54.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.801 0.334 . . . . 0.0 110.891 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.528 HD22 ' C ' ' A' ' 35' ' ' ARG . 33.6 mt -50.78 126.07 14.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.697 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.4 ' HD3' HG21 ' A' ' 20' ' ' THR . 0.0 OUTLIER -52.48 154.52 4.42 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.799 -179.861 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -55.83 121.33 9.77 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.547 2.165 . . . . 0.0 112.239 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -46.47 119.86 2.6 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.307 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.403 ' O ' ' CD2' ' A' ' 31' ' ' TYR . . . 107.59 23.43 6.88 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.264 -179.651 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.4 HG21 ' HD3' ' A' ' 16' ' ' LYS . 86.8 m -106.45 113.72 27.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.828 0.346 . . . . 0.0 110.777 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 t -53.28 155.84 2.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.8 t -105.54 -38.27 6.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 21.0 t90 -141.4 90.22 2.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -113.97 158.61 20.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -161.74 -44.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -177.66 -39.42 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.969 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.2 p -111.25 -32.76 2.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.53 153.0 27.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.1 p -176.52 109.22 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 29.0 m-70 -130.45 81.17 1.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.403 ' CD2' ' O ' ' A' ' 19' ' ' GLY . 27.4 m-85 -59.21 116.67 4.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.2 m -66.82 173.49 3.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.0 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.95 7.36 29.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.337 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 56.95 28.18 57.65 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.581 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.528 ' C ' HD22 ' A' ' 15' ' ' LEU . 1.6 mmt85 -103.88 -32.82 9.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.774 0.321 . . . . 0.0 110.889 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.429 ' CA ' HD22 ' A' ' 15' ' ' LEU . 8.3 m -143.95 165.76 26.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.958 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.67 ' SG ' HG22 ' A' ' 5' ' ' THR . 52.1 m -71.07 -30.52 66.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.79 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -67.25 172.37 4.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.8 p -144.86 90.14 6.39 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.919 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -68.76 177.68 4.66 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.549 2.166 . . . . 0.0 112.261 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.1 m -85.01 57.23 4.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -110.22 87.28 5.94 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.62 151.8 69.9 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.565 2.177 . . . . 0.0 112.354 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.407 -1.218 . . . . 0.0 112.542 179.985 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.838 0.351 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.3 mtm -143.43 -177.39 5.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.39 -78.49 0.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.946 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -114.51 -27.26 7.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.1 t 43.52 93.22 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.511 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.83 HG22 ' O ' ' A' ' 12' ' ' GLN . 16.2 p -106.72 141.91 37.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.64 -176.78 39.7 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -55.0 -34.96 88.82 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.655 2.236 . . . . 0.0 112.431 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.4 ' HB2' ' HA ' ' A' ' 37' ' ' CYS . 1.2 m -91.24 11.5 23.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.39 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 55.9 m -132.41 136.77 47.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.841 0.353 . . . . 0.0 110.931 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 68.6 mtt-85 -59.24 -37.09 76.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.013 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.83 ' O ' HG22 ' A' ' 6' ' ' THR . 0.4 OUTLIER 166.12 -29.26 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.317 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -152.39 26.93 0.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.055 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.6 tptt -171.41 146.11 2.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.815 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.57 HD22 ' C ' ' A' ' 35' ' ' ARG . 8.1 mt -56.39 122.19 11.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.0 mttt -54.92 158.09 4.98 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.837 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_exo -51.28 122.57 10.33 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.52 2.147 . . . . 0.0 112.338 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -48.81 111.87 0.53 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.263 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.8 21.09 6.16 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.464 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.5 m -104.21 121.73 43.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.809 0.337 . . . . 0.0 110.742 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 t -54.56 123.99 14.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.104 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.8 p -107.42 -31.29 8.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.473 ' CZ3' HG21 ' A' ' 25' ' ' THR . 0.2 OUTLIER -102.71 68.09 1.01 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.808 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.8 103.71 0.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.948 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.473 HG21 ' CZ3' ' A' ' 23' ' ' TRP . 20.2 p -102.73 -15.31 16.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.214 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.9 t 65.44 43.51 3.41 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.914 0.388 . . . . 0.0 110.741 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.1 p -178.82 -37.48 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.189 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.49 -36.91 7.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.944 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.9 m 59.81 109.36 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.951 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.433 ' CG ' ' HB3' ' A' ' 23' ' ' TRP . 5.7 m170 -93.52 -177.03 4.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -154.64 116.33 4.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.966 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 9.7 t -75.6 160.56 29.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 t -99.21 4.24 46.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.433 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.36 25.99 20.99 Favored Glycine 0 C--N 1.332 0.343 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.707 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.57 ' C ' HD22 ' A' ' 15' ' ' LEU . 6.1 ttm180 -116.15 -38.77 3.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.86 0.362 . . . . 0.0 110.967 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.418 ' N ' HD22 ' A' ' 15' ' ' LEU . 25.0 t -138.99 152.39 47.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.961 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.4 ' HA ' ' HB2' ' A' ' 9' ' ' CYS . 0.1 OUTLIER -73.08 -22.27 60.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.082 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -62.23 86.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.8 t -55.78 108.77 1.29 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.17 177.52 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.417 2.078 . . . . 0.0 112.339 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.7 m -128.97 41.87 3.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -113.81 88.87 14.82 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.918 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -51.62 164.25 0.99 Allowed 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.573 2.182 . . . . 0.0 112.347 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.385 -1.23 . . . . 0.0 112.509 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.85 0.357 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.9 tpp -145.67 -59.55 0.33 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -106.03 35.24 2.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.949 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 65.0 m -60.9 110.47 1.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.7 m -77.11 63.6 2.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.667 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -49.28 104.81 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.22 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.43 171.76 35.29 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.373 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_exo -51.76 -24.63 18.61 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.592 2.195 . . . . 0.0 112.401 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -109.9 25.56 11.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.105 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -136.72 98.14 3.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.922 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -110.83 129.54 55.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.771 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 64.62 14.25 8.87 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.317 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.1 t 73.92 43.49 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.869 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.8 mmtt -139.68 110.66 6.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.392 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.756 HD11 ' C ' ' A' ' 35' ' ' ARG . 1.3 tt -45.85 105.45 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.025 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.5 mmtm -47.15 150.26 1.49 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.213 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.1 141.4 58.0 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.556 2.171 . . . . 0.0 112.433 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.666 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -60.27 148.78 35.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.401 ' O ' ' CD2' ' A' ' 31' ' ' TYR . . . 75.92 8.63 84.94 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.783 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.3 m -107.8 113.05 26.02 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.851 0.357 . . . . 0.0 110.805 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.3 t -57.04 152.43 13.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.032 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.1 p -99.06 -37.41 9.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.906 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 24.5 t90 -128.83 104.42 7.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.2 ptm180 -115.74 166.89 11.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.744 HG23 HG12 ' A' ' 27' ' ' VAL . 4.2 t -172.25 36.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m 60.77 36.79 19.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.744 HG12 HG23 ' A' ' 25' ' ' THR . 12.3 p -178.32 -38.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 35.8 m -101.06 140.47 35.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.1 m -165.31 122.03 1.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 20.2 m-70 -104.24 -32.33 9.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.401 ' CD2' ' O ' ' A' ' 19' ' ' GLY . 10.4 m-85 62.42 126.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.014 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.64 172.73 12.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.773 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.4 p -121.23 19.26 11.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.069 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.666 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 49.74 26.12 7.64 Favored Glycine 0 C--N 1.332 0.312 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.781 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.756 ' C ' HD11 ' A' ' 15' ' ' LEU . 12.8 ttm180 -118.64 -38.29 3.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.842 0.353 . . . . 0.0 111.01 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.473 ' N ' HD11 ' A' ' 15' ' ' LEU . 1.9 m -141.29 173.17 11.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 66.1 m -107.51 20.12 19.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.038 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -115.71 94.76 4.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.801 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.6 m -54.18 108.34 1.11 Allowed Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.056 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -52.09 177.62 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.469 2.112 . . . . 0.0 112.299 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.0 m -96.96 39.77 1.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 19.0 m-85 -105.85 87.42 2.34 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.75 113.41 3.36 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.551 2.167 . . . . 0.0 112.328 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.088 0 CA-C-O 118.385 -1.231 . . . . 0.0 112.544 179.968 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.818 0.342 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 2.2 mpt? -143.19 -49.58 0.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 60.52 -174.66 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.404 ' CB ' ' HA ' ' A' ' 13' ' ' CYS . 1.9 m 61.85 115.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.861 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 51.8 p -56.83 173.06 0.22 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.978 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.4 p -155.06 126.07 7.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.936 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.61 -176.16 27.54 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.518 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -73.78 -29.5 10.42 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.598 2.199 . . . . 0.0 112.536 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 35.2 t -93.87 46.64 1.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.966 0.412 . . . . 0.0 110.98 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 19.6 p -178.72 159.34 1.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.52 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -92.58 35.1 1.03 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.117 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 63.2 12.61 6.23 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.449 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.404 ' HA ' ' CB ' ' A' ' 4' ' ' CYS . 1.3 m -159.16 -38.54 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.625 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.5 mmmt -130.41 128.31 41.1 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.762 0.315 . . . . 0.0 110.762 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.916 HD11 ' HA ' ' A' ' 36' ' ' SER . 0.0 OUTLIER -45.95 129.75 9.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.618 179.851 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.669 ' HD3' HG21 ' A' ' 20' ' ' THR . 28.8 mttt -56.65 166.32 1.34 Allowed Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.686 -179.542 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -64.91 128.25 20.38 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.397 2.064 . . . . 0.0 112.315 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.717 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -53.69 101.48 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.072 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.48 -16.17 2.26 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.562 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.669 HG21 ' HD3' ' A' ' 16' ' ' LYS . 0.3 OUTLIER -57.31 174.61 0.19 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.798 0.332 . . . . 0.0 110.748 179.911 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.482 HG23 ' CE2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -118.55 146.52 44.51 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 6.2 t -104.01 -64.2 1.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -127.15 145.38 50.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.9 101.84 0.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.7 p -112.12 -35.14 5.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.4 p -178.3 -39.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.934 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.4 p -109.2 -32.84 2.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.166 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.5 m -85.81 157.69 20.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.31 78.5 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 15.1 m170 -89.65 143.44 26.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.482 ' CE2' HG23 ' A' ' 21' ' ' THR . 35.7 m-85 -119.32 162.92 17.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.951 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.2 m -92.36 122.92 35.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.761 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.8 t -81.84 2.77 28.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.219 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.717 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 54.85 22.36 26.53 Favored Glycine 0 C--N 1.332 0.35 0 C-N-CA 120.594 -0.813 . . . . 0.0 112.674 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 9.7 mtt85 -115.16 -35.62 4.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.831 0.348 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.916 ' HA ' HD11 ' A' ' 15' ' ' LEU . 7.6 m -150.04 141.13 23.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.615 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 48.1 t -70.7 -20.01 62.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.826 0.346 . . . . 0.0 110.832 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.11 98.86 0.82 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.751 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 36.0 m -54.53 108.19 1.08 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.063 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.419 ' HB2' ' CD1' ' A' ' 42' ' ' TYR . 53.3 Cg_endo -69.37 177.32 5.43 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.447 2.098 . . . . 0.0 112.329 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.8 m -102.62 37.4 1.93 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.419 ' CD1' ' HB2' ' A' ' 40' ' ' PRO . 45.0 m-85 -114.42 87.51 14.0 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.07 148.72 23.17 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.59 2.193 . . . . 0.0 112.306 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.082 0 CA-C-O 118.356 -1.247 . . . . 0.0 112.476 -180.0 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.41 ' N ' HG23 ' A' ' 5' ' ' THR . . . . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.781 0.324 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.6 ttt -67.1 -65.47 0.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.1 p-10 -105.15 32.65 4.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 56.6 m 60.54 111.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.41 HG23 ' N ' ' A' ' 1' ' ' ALA . 18.9 p -66.91 99.72 0.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.83 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 71.5 p -71.55 130.14 40.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.026 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.99 164.28 12.61 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.489 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.57 -40.69 5.3 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.53 2.153 . . . . 0.0 112.346 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -58.81 -26.44 64.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.007 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 61.2 m -92.07 166.86 12.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.984 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.84 45.04 1.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.63 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 75.98 3.54 3.75 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.624 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 50.2 t -177.79 -38.07 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.606 0.241 . . . . 0.0 111.549 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.2 ttmt -122.72 137.35 54.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.881 0.372 . . . . 0.0 111.08 -179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.588 HD22 ' N ' ' A' ' 36' ' ' SER . 5.3 mt -48.07 123.87 6.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.056 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.8 mttm -59.07 157.44 21.54 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.747 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_exo -51.22 123.41 11.91 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.523 2.148 . . . . 0.0 112.309 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -47.2 111.63 0.43 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.278 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.27 17.85 6.51 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.863 -0.684 . . . . 0.0 112.559 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.9 m -114.57 114.39 25.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.754 0.311 . . . . 0.0 110.761 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.3 t -55.13 128.96 36.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 21.3 p -76.65 -34.62 58.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.929 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 24.4 t90 -131.51 107.2 8.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.437 ' O ' HG23 ' A' ' 25' ' ' THR . 22.0 ptt-85 -104.25 152.86 21.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.437 HG23 ' O ' ' A' ' 24' ' ' ARG . 21.5 p -157.38 -77.95 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.93 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.3 p -176.95 -39.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.906 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.9 m -129.51 31.02 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.132 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.1 t -171.65 123.07 0.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.9 m -161.89 161.8 28.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 25.0 m-70 -149.65 107.99 3.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -59.55 135.23 57.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 9.0 t -82.52 141.63 32.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.846 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 73.8 p -86.2 0.87 52.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.344 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.39 23.9 14.85 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.841 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.503 ' HA ' HD13 ' A' ' 15' ' ' LEU . 5.4 ptt85 -120.93 -31.61 4.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.646 0.26 . . . . 0.0 111.226 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.588 ' N ' HD22 ' A' ' 15' ' ' LEU . 14.2 t -140.97 149.69 42.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.779 0.323 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.2 -23.02 61.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.14 86.44 1.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.883 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.5 t -57.71 109.69 1.96 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.915 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.54 171.18 0.22 Allowed 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.389 2.06 . . . . 0.0 112.289 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 20.1 t -107.73 34.19 3.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -105.98 87.28 2.33 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.01 177.09 6.11 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.573 2.182 . . . . 0.0 112.311 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.417 -1.213 . . . . 0.0 112.462 -179.959 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.79 0.328 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -132.01 80.02 1.89 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.933 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -166.65 130.51 2.0 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.3 m -107.42 -31.09 8.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.943 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.9 p 58.08 109.4 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.0 p -98.94 151.73 20.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.03 -176.17 32.8 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.499 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.77 -28.25 20.66 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.601 2.2 . . . . 0.0 112.349 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -94.88 45.67 1.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.4 p -177.96 119.79 0.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.757 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.32 -91.5 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.164 -179.636 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -119.56 -20.89 7.58 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.549 0.214 . . . . 0.0 111.255 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.1 t -176.92 37.04 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.73 0.3 . . . . 0.0 110.992 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -153.93 136.65 15.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.81 0.338 . . . . 0.0 110.871 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.514 HD22 ' C ' ' A' ' 35' ' ' ARG . 68.4 mt -54.37 121.38 8.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.763 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.5 mttt -49.63 165.99 0.27 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.074 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.56 117.15 4.5 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.541 2.161 . . . . 0.0 112.29 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.17 122.29 15.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.065 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 109.8 28.9 4.03 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.481 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.482 HG22 ' HB3' ' A' ' 32' ' ' CYS . 13.3 t -121.45 175.0 6.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.884 0.373 . . . . 0.0 110.854 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.649 HG21 ' CG ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -93.99 141.94 27.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.877 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 52.9 t -96.1 -70.74 0.7 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 25.0 t90 -126.71 89.83 3.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.649 ' CG ' HG21 ' A' ' 21' ' ' THR . 4.6 mtt180 -78.99 118.38 20.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -111.57 -76.41 0.6 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.9 m -177.55 -39.55 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.3 p -112.32 -32.33 2.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.177 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.404 ' OG ' ' CD2' ' A' ' 30' ' ' HIS . 19.4 t -79.68 -78.64 0.16 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 37.9 m 60.23 101.0 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.404 ' CD2' ' OG ' ' A' ' 28' ' ' SER . 35.7 m170 -104.18 -177.77 3.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -146.54 161.2 40.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.482 ' HB3' HG22 ' A' ' 20' ' ' THR . 12.2 t -107.22 127.17 53.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.3 t -86.75 5.7 35.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.313 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 53.13 35.98 50.83 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.634 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.514 ' C ' HD22 ' A' ' 15' ' ' LEU . 1.6 tmm_? -115.03 -37.89 4.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.837 0.351 . . . . 0.0 111.031 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.8 166.52 31.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.924 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 84.6 m -71.34 -30.27 65.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -63.18 103.23 0.46 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.6 m -68.41 155.03 93.48 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.78 160.75 48.56 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.531 2.154 . . . . 0.0 112.325 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.3 m -131.12 33.09 4.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 26.2 p90 -137.85 154.87 74.9 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.917 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.11 108.59 2.18 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.592 2.194 . . . . 0.0 112.284 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.334 -1.259 . . . . 0.0 112.508 179.993 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.861 0.363 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 5.0 mtt -88.46 -52.28 5.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -76.51 119.37 20.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 23.7 m -148.3 112.08 5.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -62.63 141.2 58.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.747 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 30.3 p -128.26 123.99 35.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.964 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.21 -169.49 41.96 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.52 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -78.43 -33.2 1.93 Allowed 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.73 2.287 . . . . 0.0 112.606 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -74.89 -26.91 59.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.128 -179.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 26.2 p -112.5 134.45 54.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.748 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.4 mtm180 -59.34 -94.78 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.093 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -120.22 -22.0 6.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.666 0.269 . . . . 0.0 111.128 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 33.9 t -176.82 35.62 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.8 0.333 . . . . 0.0 111.051 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.6 tttp -163.35 126.19 2.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.761 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.745 HD11 ' O ' ' A' ' 36' ' ' SER . 0.4 OUTLIER -49.78 115.18 1.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.814 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.9 mttt -49.23 156.44 1.02 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.031 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -51.95 134.42 48.82 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.504 2.136 . . . . 0.0 112.41 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.58 132.84 54.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.033 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 84.59 21.52 56.01 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.536 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 87.2 m -110.4 117.74 34.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 0.0 110.735 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -58.4 127.2 30.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.1 p -89.47 -40.63 12.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 35.5 t90 -134.42 140.06 46.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -149.55 146.92 27.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.4 m -160.56 38.37 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.3 m 60.84 29.93 19.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.438 HG13 ' N ' ' A' ' 28' ' ' SER . 11.3 p -125.68 -42.54 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.145 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.438 ' N ' HG13 ' A' ' 27' ' ' VAL . 1.7 m -163.3 -176.47 4.8 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.914 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.8 m -133.5 118.31 18.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -105.36 85.33 2.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -73.75 134.8 43.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 2.7 t -78.51 140.45 38.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.6 p -91.76 9.95 30.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.3 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.462 ' HA2' HD12 ' A' ' 15' ' ' LEU . . . 50.65 26.13 10.05 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.676 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.5 ttt-85 -116.5 -36.22 4.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.809 0.338 . . . . 0.0 111.102 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.745 ' O ' HD11 ' A' ' 15' ' ' LEU . 1.9 m -144.62 150.18 36.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.945 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 43.7 t -73.26 -19.3 61.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.063 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -74.32 85.99 1.96 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.867 0.365 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -57.67 109.62 1.91 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.959 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.95 177.38 0.06 OUTLIER 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.431 2.087 . . . . 0.0 112.255 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.4 m -111.76 31.71 5.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -68.92 149.57 97.83 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.27 155.64 63.78 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.53 2.153 . . . . 0.0 112.315 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.421 -1.21 . . . . 0.0 112.467 -179.999 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.301 0 CA-C-O 120.825 0.345 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.74 162.56 32.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -148.28 167.97 23.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m -88.97 116.16 27.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.44 112.76 6.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.2 p -83.06 128.85 34.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.13 175.81 34.52 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.527 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 -42.55 3.34 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.599 2.2 . . . . 0.0 112.253 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.65 -26.85 64.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.999 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 54.7 m -93.12 166.11 12.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.8 ttt180 -92.93 48.12 1.33 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.837 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 72.11 8.06 5.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.492 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -160.15 -59.62 0.06 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.774 0.321 . . . . 0.0 111.067 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.52 157.53 31.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.007 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.439 HD23 ' H ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -55.61 131.24 45.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.927 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.2 mtmp? -66.82 166.03 21.84 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.944 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -54.2 142.45 67.33 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.61 2.207 . . . . 0.0 112.293 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.02 108.05 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.056 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.01 25.74 3.77 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.559 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 67.8 m -117.08 118.8 33.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.86 0.362 . . . . 0.0 110.826 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.2 t -62.48 128.5 36.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.984 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 29.4 p -85.72 -31.23 22.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.852 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.431 ' CE3' ' HA ' ' A' ' 23' ' ' TRP . 0.0 OUTLIER -115.78 87.95 2.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.799 179.929 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -111.49 84.52 1.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.745 HG23 HG12 ' A' ' 27' ' ' VAL . 4.2 t -120.88 35.26 4.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m 60.85 38.97 17.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.745 HG12 HG23 ' A' ' 25' ' ' THR . 12.2 p -178.55 -38.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.162 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.5 m -86.85 147.84 25.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.944 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.1 m -161.08 101.45 1.25 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -110.17 -30.23 7.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.004 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 62.4 116.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.865 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.9 t -85.44 134.55 34.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.823 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.1 p -91.84 12.53 21.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.187 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.79 46.05 24.94 Favored Glycine 0 C--N 1.332 0.345 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.796 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -139.86 -46.42 0.44 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.878 0.37 . . . . 0.0 111.063 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.8 m -127.35 148.53 50.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.988 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.91 -19.01 60.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.151 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -81.1 95.58 6.9 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.791 0.329 . . . . 0.0 110.921 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.18 146.23 83.8 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.832 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.81 128.66 15.36 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.493 2.129 . . . . 0.0 112.302 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.6 p -63.13 -32.11 73.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 45.3 p90 -82.25 149.82 62.86 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.97 129.31 17.15 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.597 2.198 . . . . 0.0 112.264 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.384 -1.231 . . . . 0.0 112.536 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.786 0.327 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 4.8 ttm -89.59 -31.6 17.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 60.71 111.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.4 m -132.59 108.61 9.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.8 m -67.11 76.18 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.804 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 36.4 p -52.59 114.59 1.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.38 169.69 40.62 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.53 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.39 -31.18 56.27 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.596 2.198 . . . . 0.0 112.492 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 8.8 t -97.57 29.78 3.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.001 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -130.09 109.05 10.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.621 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.436 ' O ' ' HB2' ' A' ' 12' ' ' GLN . 8.0 ttp180 -52.97 -30.15 33.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.242 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.436 ' HB2' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER 170.28 -31.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.869 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.6 t -175.52 33.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.986 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -156.93 110.2 2.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.495 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.852 HD11 ' HA ' ' A' ' 36' ' ' SER . 0.3 OUTLIER -45.34 107.91 0.11 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.945 -179.82 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.2 mtmm -46.36 155.84 0.53 Allowed Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.231 -179.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo -51.88 136.59 51.8 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.582 2.188 . . . . 0.0 112.434 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.644 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -60.05 108.97 0.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 113.46 26.61 3.9 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.447 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 79.3 m -117.4 131.21 56.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.811 0.338 . . . . 0.0 110.761 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.428 HG21 ' HG3' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -60.05 147.01 40.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.903 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.2 p -97.62 -30.95 12.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 20.1 t90 -130.63 -73.96 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.428 ' HG3' HG21 ' A' ' 21' ' ' THR . 1.1 ttp85 58.07 87.7 0.07 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.905 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.7 t -83.49 -39.48 20.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.7 -39.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.867 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.0 t -120.23 -40.19 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.151 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.91 86.74 6.9 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.899 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.8 m -97.01 79.19 2.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -73.09 98.95 2.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.961 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -74.62 159.19 32.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.9 m -98.72 154.59 17.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.9 t -108.17 13.89 25.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.644 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 49.46 26.69 7.42 Favored Glycine 0 C--N 1.333 0.364 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.724 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -105.27 -31.18 9.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 0.0 110.98 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.852 ' HA ' HD11 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -150.47 172.23 15.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 m -95.24 10.31 36.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.184 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -117.18 115.19 24.85 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.81 0.338 . . . . 0.0 110.811 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.81 147.08 73.49 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.966 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.37 177.68 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.549 2.166 . . . . 0.0 112.28 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.1 m -106.57 31.46 5.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -161.45 157.27 21.35 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.58 165.61 30.17 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.592 2.194 . . . . 0.0 112.261 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.363 -1.243 . . . . 0.0 112.48 179.993 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.768 0.318 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.5 166.2 23.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.965 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -136.0 79.92 1.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.3 m -104.39 -28.23 11.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.961 -179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 62.47 63.39 1.03 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.987 0.422 . . . . 0.0 110.768 -179.947 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.78 138.38 58.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.948 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.92 -170.25 42.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.494 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -69.4 -28.25 27.19 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.621 2.214 . . . . 0.0 112.304 179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 46.7 m -98.52 33.73 2.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.957 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -148.75 164.31 34.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.862 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -178.09 128.04 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.748 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 63.17 15.65 8.73 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.218 -179.866 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.7 t 76.95 39.22 0.22 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.79 -179.71 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.59 122.44 11.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.559 179.86 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -47.73 114.92 0.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.082 -179.837 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.473 ' HD3' HG21 ' A' ' 20' ' ' THR . 46.9 mttt -53.62 164.59 0.84 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.942 -179.876 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -64.97 139.19 60.52 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.539 2.159 . . . . 0.0 112.365 -179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.535 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -58.5 122.58 13.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.915 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 104.32 22.61 8.54 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.519 -179.928 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.473 HG21 ' HD3' ' A' ' 16' ' ' LYS . 76.2 m -91.11 120.28 31.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.827 0.346 . . . . 0.0 110.807 179.914 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.563 HG22 ' O ' ' A' ' 30' ' ' HIS . 0.0 OUTLIER -66.23 135.05 53.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.918 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 28.2 p -107.01 -31.92 8.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -153.28 78.37 1.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.446 ' HB2' HG21 ' A' ' 21' ' ' THR . 1.7 tmt_? -93.01 145.98 23.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -141.77 -174.99 4.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.905 179.946 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.22 -30.8 63.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.951 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.3 t -106.4 -32.54 2.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.217 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.01 169.75 8.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.945 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -174.67 98.46 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.563 ' O ' HG22 ' A' ' 21' ' ' THR . 3.3 m-70 -102.46 142.66 33.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.962 -179.98 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.45 ' CE1' HG23 ' A' ' 21' ' ' THR . 38.1 m-85 -125.54 156.17 39.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.88 179.92 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 3.7 t -88.57 165.31 14.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.967 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.7 t -109.22 8.35 25.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.364 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.535 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 54.02 24.78 29.01 Favored Glycine 0 C--N 1.332 0.306 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.753 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.1 ttp85 -112.2 -35.98 5.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.832 0.348 . . . . 0.0 110.867 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 m -129.11 172.74 11.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.761 179.944 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 35.4 m -110.55 22.55 15.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.946 179.89 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -131.11 92.21 3.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.753 179.787 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.4 t -53.12 107.69 0.91 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.078 -179.9 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.444 ' HB2' ' CD2' ' A' ' 42' ' ' TYR . 55.1 Cg_endo -69.76 177.54 5.48 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.469 2.113 . . . . 0.0 112.277 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.5 p -94.41 46.48 1.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.951 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.444 ' CD2' ' HB2' ' A' ' 40' ' ' PRO . 17.5 m-85 -114.1 88.32 14.63 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -51.91 131.44 38.42 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.55 2.167 . . . . 0.0 112.328 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.39 -1.228 . . . . 0.0 112.496 -180.0 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.8 0.333 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 16.1 ttm -105.33 81.95 1.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.947 179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -73.94 136.49 43.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 -179.973 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 67.9 m -153.47 -178.09 6.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.7 p -141.55 112.95 7.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.824 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.7 p -101.7 108.4 19.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.62 -157.55 21.33 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.529 -179.787 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -83.44 -43.58 0.07 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.766 2.311 . . . . 0.0 112.863 -179.713 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -92.92 46.03 1.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.948 0.404 . . . . 0.0 111.276 -179.538 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.0 p -170.11 120.45 0.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.969 0.414 . . . . 0.0 111.064 179.701 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.7 mtp180 -58.71 -162.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.954 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.51 -27.09 35.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.603 -179.663 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -167.23 30.41 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -179.625 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.3 mmtt -158.27 128.17 5.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.569 0.223 . . . . 0.0 110.648 179.743 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.653 HD12 ' O ' ' A' ' 16' ' ' LYS . 3.8 pp -43.58 137.7 2.81 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.697 179.947 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.687 ' HD3' HG21 ' A' ' 20' ' ' THR . 22.1 mttt -59.94 160.03 17.6 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.038 -179.072 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_exo -50.73 138.76 40.76 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.579 2.186 . . . . 0.0 112.417 -179.97 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.558 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -59.75 105.69 0.4 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.033 179.893 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.404 ' O ' ' CD2' ' A' ' 31' ' ' TYR . . . 115.64 28.43 2.74 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.63 179.896 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.687 HG21 ' HD3' ' A' ' 16' ' ' LYS . 89.8 m -102.84 107.59 18.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.855 0.36 . . . . 0.0 110.852 179.961 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -47.15 117.03 1.57 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.333 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 28.3 t -69.84 -49.96 47.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.879 -179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 21.3 t90 -151.03 97.81 2.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.71 111.56 23.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.01 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 70.8 p -80.58 -77.94 0.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.772 179.971 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 43.5 m -162.02 29.29 0.12 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.005 179.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.3 p 179.74 -38.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.102 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.1 m -60.62 -79.86 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.971 -179.892 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 9.9 t 59.69 106.83 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -125.32 93.56 3.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.404 ' CD2' ' O ' ' A' ' 19' ' ' GLY . 15.4 m-85 -63.48 142.83 58.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 179.974 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 20' ' ' THR . 0.5 OUTLIER -69.6 158.82 34.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.016 180.0 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.0 t -96.6 2.26 52.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.165 179.811 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.558 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 53.31 29.07 36.93 Favored Glycine 0 C--N 1.332 0.347 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.65 -179.848 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.41 ' C ' HD22 ' A' ' 15' ' ' LEU . 3.2 ttt180 -119.0 -41.83 2.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.892 0.377 . . . . 0.0 110.921 -179.915 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -151.38 158.8 44.21 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.91 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.7 t -72.67 -23.95 60.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.113 179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -59.89 89.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.948 179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 86.8 m -58.04 109.73 2.02 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -53.03 177.4 0.06 OUTLIER 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.399 2.066 . . . . 0.0 112.292 179.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.1 m -91.82 -31.5 15.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 28.5 p90 -83.72 151.74 61.92 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.16 -177.5 2.03 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.542 2.161 . . . . 0.0 112.332 179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.385 -1.231 . . . . 0.0 112.511 -179.981 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.829 0.347 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.0 tpt -102.81 82.28 2.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -83.1 -38.32 22.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.4 m 63.43 138.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 76.8 p -67.56 76.15 0.18 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.2 p -91.92 109.55 20.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.22 -176.05 44.09 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.471 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -70.01 -27.61 25.05 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.521 2.147 . . . . 0.0 112.333 179.966 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 67.8 m -109.36 34.2 3.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.953 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.9 p -172.98 116.01 0.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.956 -179.978 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 -132.73 158.68 41.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.737 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 67.73 12.8 9.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.308 -179.935 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 7.8 t 75.97 38.62 0.34 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.851 -179.732 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -157.23 140.11 15.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.744 179.882 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.561 HD21 ' HA ' ' A' ' 36' ' ' SER . 0.2 OUTLIER -54.67 121.16 7.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.895 179.983 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.497 ' HD3' HG21 ' A' ' 20' ' ' THR . 8.6 tttp -56.26 148.67 40.93 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.057 -179.937 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.23 142.05 57.45 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.581 2.187 . . . . 0.0 112.308 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.23 116.73 5.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.024 179.927 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.83 2.3 7.97 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.901 -179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.497 HG21 ' HD3' ' A' ' 16' ' ' LYS . 1.0 OUTLIER -72.35 172.94 9.44 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.849 0.357 . . . . 0.0 110.774 179.911 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.489 ' H ' HG22 ' A' ' 20' ' ' THR . 0.0 OUTLIER -107.0 165.92 10.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.027 -179.941 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -105.2 -70.83 0.76 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 22.1 t90 -137.1 -71.14 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.3 ttt180 59.97 107.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.894 179.96 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.7 m -105.46 -34.66 7.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.08 -39.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.952 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -112.2 -33.25 2.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.117 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.6 t -72.95 136.99 45.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 72.5 m -139.0 79.19 1.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -103.03 145.43 29.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -136.2 158.95 43.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 28.8 m -93.72 134.79 35.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.9 t -93.96 14.7 18.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.274 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 53.01 25.25 23.59 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.723 179.937 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -107.98 -35.0 6.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.889 -179.944 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.561 ' HA ' HD21 ' A' ' 15' ' ' LEU . 7.8 t -161.35 165.65 28.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 82.8 m -71.34 -29.12 64.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.963 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -62.78 113.54 3.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.97 -179.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.3 t -61.35 139.88 94.69 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -52.44 171.74 0.19 Allowed 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.469 2.113 . . . . 0.0 112.317 -179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 88.7 p -103.95 -32.8 9.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 22.5 p90 -100.35 154.78 37.01 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.97 168.96 20.34 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.578 2.185 . . . . 0.0 112.314 179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.376 -1.236 . . . . 0.0 112.505 179.98 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.587 ' HB1' ' HB2' ' A' ' 4' ' ' CYS . . . . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.781 0.324 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 8.7 mtt -100.6 -33.91 10.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -146.28 35.46 0.99 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.587 ' HB2' ' HB1' ' A' ' 1' ' ' ALA . 34.9 m -105.6 113.13 26.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 75.8 p -58.96 92.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -87.63 116.67 25.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.88 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.12 -179.52 48.88 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.477 179.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.04 -26.15 21.93 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.638 2.226 . . . . 0.0 112.394 179.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.6 t -89.06 5.49 44.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.445 -179.845 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 59.3 m -123.27 153.05 40.72 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.757 0.313 . . . . 0.0 110.77 179.891 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -86.25 -89.45 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.908 -179.856 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.31 -24.82 7.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.758 0.313 . . . . 0.0 110.98 179.901 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.3 t -178.87 36.01 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.027 -179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -161.74 137.21 7.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.825 179.95 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.62 HD21 ' C ' ' A' ' 36' ' ' SER . 1.4 mt -56.01 114.93 2.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.729 179.889 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.25 147.94 12.63 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.975 -179.849 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -52.65 143.0 48.31 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.58 2.187 . . . . 0.0 112.388 -179.926 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.99 127.16 30.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.05 179.916 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.43 -5.18 21.39 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.773 -179.92 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 2.3 m -80.76 112.43 18.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.814 0.34 . . . . 0.0 110.807 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.441 HG23 ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -65.41 147.41 53.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -179.944 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 34.4 m -91.56 -74.85 0.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.972 179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 21.2 t90 -82.31 -36.4 27.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? 59.21 108.48 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -155.23 162.62 40.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.994 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.9 t -85.69 56.84 4.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 179.976 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.0 p -178.51 -38.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.156 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 92.3 p -133.6 84.61 2.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 t -79.44 82.89 5.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -72.36 93.59 1.53 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.987 179.936 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.441 ' CD1' HG23 ' A' ' 21' ' ' THR . 22.2 m-85 -85.69 155.97 20.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 179.944 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.2 m -94.74 135.76 35.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.864 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.5 p -95.55 12.79 28.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.011 179.855 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 46.8 28.44 3.78 Favored Glycine 0 C--N 1.333 0.374 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.88 -179.991 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.469 ' O ' HD11 ' A' ' 15' ' ' LEU . 8.3 mmt-85 -115.22 -35.59 4.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.791 0.329 . . . . 0.0 111.165 -179.799 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.62 ' C ' HD21 ' A' ' 15' ' ' LEU . 1.3 m -133.21 152.9 51.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.979 -179.939 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -71.31 -24.12 62.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.953 179.838 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -94.78 125.48 39.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.794 179.884 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -58.81 146.52 75.22 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.98 -179.916 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.77 177.71 7.26 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.569 2.179 . . . . 0.0 112.346 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.4 m -101.78 33.77 2.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -105.48 88.24 2.58 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.49 96.99 0.59 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.534 2.156 . . . . 0.0 112.296 -179.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.385 -1.231 . . . . 0.0 112.509 -179.984 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.818 0.342 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 5.0 ttt -102.15 36.36 2.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.959 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -129.37 156.32 44.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 73.2 m 60.19 108.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.958 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.3 90.59 3.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.611 179.812 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -44.82 96.23 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.427 -179.71 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.17 -166.66 13.99 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.402 -179.956 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -74.95 -26.61 10.86 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.634 2.223 . . . . 0.0 112.601 -179.836 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.405 ' CB ' ' HA ' ' A' ' 37' ' ' CYS . 0.8 OUTLIER -98.19 31.92 2.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.096 -179.836 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.4 m -159.37 110.6 2.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.622 179.793 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.71 -87.85 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.128 -179.681 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -121.49 -19.73 6.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.609 0.243 . . . . 0.0 111.318 -179.973 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 176.58 36.85 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.022 -179.827 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.3 tptm -148.96 120.5 7.97 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.857 0.361 . . . . 0.0 110.907 -179.953 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.777 HD13 ' HA ' ' A' ' 35' ' ' ARG . 48.7 mt -47.95 115.96 1.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.777 179.788 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.591 ' HD3' HG21 ' A' ' 20' ' ' THR . 3.9 mttt -47.12 144.39 4.11 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.966 -179.639 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -49.98 128.06 20.99 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.556 2.17 . . . . 0.0 112.498 -179.772 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.3 101.42 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.032 179.878 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 139.88 -14.61 3.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.463 -179.744 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.591 HG21 ' HD3' ' A' ' 16' ' ' LYS . 23.0 m -69.66 112.17 5.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.812 0.339 . . . . 0.0 110.659 179.869 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.57 142.65 50.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.976 -179.752 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -77.19 -57.38 3.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 18.4 t90 -106.7 -71.6 0.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.956 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.67 97.76 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.962 -179.995 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.87 -34.04 12.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.0 p -178.31 -39.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.478 HG13 ' N ' ' A' ' 28' ' ' SER . 12.3 p -129.91 -44.02 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.138 -179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.478 ' N ' HG13 ' A' ' 27' ' ' VAL . 23.2 t -66.03 104.25 1.1 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.901 -179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 73.2 m -131.37 115.72 16.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.838 179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -77.04 -37.75 54.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 62.66 127.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.993 -179.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -73.19 140.83 47.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.0 p -94.85 14.7 20.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.044 179.872 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.38 31.21 6.47 Favored Glycine 0 C--N 1.332 0.339 0 C-N-CA 120.91 -0.662 . . . . 0.0 112.917 179.901 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.777 ' HA ' HD13 ' A' ' 15' ' ' LEU . 27.2 ttm-85 -144.91 19.3 1.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.621 0.248 . . . . 0.0 111.317 -179.959 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.679 ' N ' HD22 ' A' ' 15' ' ' LEU . 17.9 p -178.26 136.37 0.16 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.779 0.323 . . . . 0.0 110.812 179.882 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.405 ' HA ' ' CB ' ' A' ' 9' ' ' CYS . 3.8 m -78.91 -8.56 58.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.271 179.972 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -96.29 93.04 6.65 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.858 0.361 . . . . 0.0 110.823 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.4 p -57.47 109.59 1.87 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 -179.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.53 176.75 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.433 2.089 . . . . 0.0 112.308 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -112.84 37.17 3.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -114.49 87.52 14.18 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.2 -176.69 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.548 2.166 . . . . 0.0 112.323 179.961 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.4 -1.222 . . . . 0.0 112.497 -179.958 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.799 0.333 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 10.0 mtm 63.88 -79.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.8 t0 60.6 -174.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 68.38 8.43 6.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.538 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.655 HG22 ' HB3' ' A' ' 37' ' ' CYS . 0.2 OUTLIER 58.08 106.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 0.0 110.954 179.863 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.3 p -110.91 125.26 53.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 179.873 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.6 -162.53 36.32 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.579 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -78.56 -41.66 0.25 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.724 2.283 . . . . 0.0 112.717 -179.765 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.415 ' CB ' ' HA ' ' A' ' 37' ' ' CYS . 3.4 m -85.6 54.69 3.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.919 0.39 . . . . 0.0 111.215 -179.745 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.403 ' HA ' ' N ' ' A' ' 16' ' ' LYS . 24.2 p 179.49 129.47 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.702 179.69 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? -55.17 -42.01 72.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.059 -179.755 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 165.65 -29.31 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.245 -179.923 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.6 m -138.62 10.92 2.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.65 -179.843 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -159.66 133.78 7.49 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.749 0.309 . . . . 0.0 110.66 179.887 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.785 HD22 ' O ' ' A' ' 35' ' ' ARG . 1.9 pp -48.18 131.12 16.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.604 179.897 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.692 ' O ' HD12 ' A' ' 15' ' ' LEU . 12.9 mttp -65.47 160.43 59.51 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.707 -179.61 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -64.37 137.22 54.66 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.517 2.144 . . . . 0.0 112.232 179.87 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.621 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -50.18 157.31 0.68 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.205 -179.979 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.34 -16.45 61.06 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.678 -179.938 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -57.02 175.07 0.14 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.916 0.388 . . . . 0.0 110.859 179.975 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.479 HG21 ' CG ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -126.69 132.7 51.1 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.892 -179.928 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.0 t -95.78 -31.88 12.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -165.94 83.13 0.31 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.479 ' CG ' HG21 ' A' ' 21' ' ' THR . 4.8 ptm180 -106.45 104.53 14.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.904 -179.977 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.603 ' O ' HG23 ' A' ' 27' ' ' VAL . 2.8 m -119.16 30.04 7.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.6 m 58.83 30.83 20.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.943 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.603 HG23 ' O ' ' A' ' 25' ' ' THR . 21.4 t -128.95 -44.56 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.24 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 97.1 p -114.79 -36.88 4.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.1 m 59.77 79.5 0.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 15.2 m170 -92.29 163.55 13.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -140.99 152.96 45.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 11.9 t -83.03 132.74 35.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.513 HG23 ' H ' ' A' ' 35' ' ' ARG . 8.9 t -68.78 -12.17 61.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.23 179.872 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.621 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 59.74 29.77 67.91 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.4 -179.773 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.785 ' O ' HD22 ' A' ' 15' ' ' LEU . 3.1 tmt_? -120.73 -38.32 2.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.822 0.344 . . . . 0.0 111.01 -179.853 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 m -155.48 159.59 39.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.719 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.655 ' HB3' HG22 ' A' ' 5' ' ' THR . 4.4 t -72.74 -25.4 61.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.039 -179.968 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -59.2 88.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.835 179.953 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.3 m -55.87 108.75 1.29 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.986 -179.891 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.27 177.55 5.81 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.427 2.084 . . . . 0.0 112.289 179.971 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.6 t -100.9 41.08 1.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 179.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -105.1 88.55 2.49 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -69.12 115.17 3.87 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.571 2.18 . . . . 0.0 112.319 179.967 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.369 -1.239 . . . . 0.0 112.475 179.981 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.834 0.35 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 14.3 ttt 60.36 80.1 0.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.936 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -94.9 127.22 40.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.2 m -106.31 -33.86 7.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.954 179.988 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.405 ' CG2' ' HB3' ' A' ' 37' ' ' CYS . 0.2 OUTLIER 63.92 135.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.716 -179.851 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -123.33 134.69 54.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.912 -179.937 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.21 -162.89 34.61 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.427 -179.895 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -79.22 -43.83 0.14 Allowed 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.629 2.219 . . . . 0.0 112.6 -179.808 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -62.31 -27.83 69.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.227 -179.732 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 31.5 p -111.76 128.78 56.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.836 179.903 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.3 mtp85 -58.43 -91.04 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.186 -179.667 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -123.49 -19.18 5.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.576 0.227 . . . . 0.0 111.413 -179.786 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.1 m -171.36 29.37 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.696 -0.229 . . . . 0.0 111.466 -179.747 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.5 tttt -170.19 122.57 0.67 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.768 0.318 . . . . 0.0 110.84 179.911 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.611 HD13 ' C ' ' A' ' 35' ' ' ARG . 0.1 OUTLIER -47.85 115.65 1.23 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.713 179.818 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.789 ' HD2' HG21 ' A' ' 20' ' ' THR . 7.7 mttm -46.75 164.05 0.23 Allowed Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 -179.599 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -56.24 138.33 82.96 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.598 2.199 . . . . 0.0 112.191 179.909 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -54.31 119.0 4.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.224 179.939 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.46 13.19 8.31 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.723 -179.978 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.789 HG21 ' HD2' ' A' ' 16' ' ' LYS . 10.9 m -91.69 118.87 31.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.853 0.359 . . . . 0.0 110.766 179.926 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 t -50.66 139.36 16.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.19 -179.858 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 51.4 t -113.06 101.47 9.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.849 -179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 71.0 t90 60.54 95.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.81 127.56 55.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.971 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.1 p -92.15 -78.4 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.21 37.73 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.1 p -178.5 -38.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 179.919 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.8 p -80.16 -78.11 0.17 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.4 t 60.17 108.5 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.411 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 11.8 m170 -93.14 -168.76 2.0 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.963 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -152.57 112.49 3.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 14.7 t -66.04 143.72 57.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.819 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.499 HG23 ' HB2' ' A' ' 35' ' ' ARG . 1.9 t -90.66 10.47 25.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.354 -179.98 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.473 ' O ' HD12 ' A' ' 15' ' ' LEU . . . 50.17 28.41 13.2 Favored Glycine 0 C--N 1.332 0.341 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.726 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.611 ' C ' HD13 ' A' ' 15' ' ' LEU . 3.7 mmt180 -102.51 -35.71 8.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.835 0.35 . . . . 0.0 111.004 -179.833 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.9 m -166.74 171.8 11.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.947 179.993 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.405 ' HB3' ' CG2' ' A' ' 5' ' ' THR . 6.7 t -74.81 -25.77 59.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.064 -179.976 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -58.87 88.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.927 -179.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 36.0 t -59.92 110.52 2.87 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.964 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.447 ' HB2' ' CE1' ' A' ' 42' ' ' TYR . 52.9 Cg_exo -52.68 177.22 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.433 2.089 . . . . 0.0 112.263 179.974 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -126.38 65.65 1.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.899 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.447 ' CE1' ' HB2' ' A' ' 40' ' ' PRO . 14.3 p90 -141.52 149.21 53.37 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 179.988 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.51 127.68 25.1 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.559 2.173 . . . . 0.0 112.286 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.413 -1.215 . . . . 0.0 112.512 179.963 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.845 0.355 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 6.8 ttm -158.77 -52.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -106.87 31.55 5.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -110.88 119.19 38.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 179.989 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 47.1 p -63.58 109.68 1.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.831 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.671 HG23 ' HA ' ' A' ' 12' ' ' GLN . 12.9 m -117.44 155.63 29.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.94 -179.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.74 -169.51 29.25 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.513 179.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.28 -37.1 6.19 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.609 2.206 . . . . 0.0 112.421 -179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -100.13 31.67 3.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.943 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 55.9 m -144.83 160.89 40.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -96.88 31.97 2.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.992 -179.9 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.671 ' HA ' HG23 ' A' ' 6' ' ' THR . 1.7 tp60 69.96 9.34 7.07 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.492 179.941 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.4 m -164.14 -41.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.693 0.282 . . . . 0.0 111.245 -179.957 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.7 mttm -128.06 159.11 36.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.829 0.347 . . . . 0.0 110.997 -179.867 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.452 HD13 ' HA ' ' A' ' 35' ' ' ARG . 59.6 mt -59.07 132.64 54.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 179.884 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -59.07 149.46 66.74 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.743 179.913 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_exo -51.53 121.95 9.41 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.524 2.149 . . . . 0.0 112.384 -179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.73 109.38 0.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.1 179.891 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.26 23.97 4.32 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.497 -179.74 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 29.1 m -100.81 127.46 47.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.785 0.326 . . . . 0.0 110.56 179.918 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.571 HG22 ' HA ' ' A' ' 29' ' ' SER . 0.1 OUTLIER -49.87 163.28 0.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.314 -179.645 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 48.0 t -154.13 -45.98 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.012 -179.887 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.422 ' O ' ' CD2' ' A' ' 30' ' ' HIS . 0.9 OUTLIER -175.72 -178.56 1.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.086 -179.83 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.429 ' HA ' ' CD2' ' A' ' 30' ' ' HIS . 0.0 OUTLIER 175.34 -33.64 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.832 179.852 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 75.21 48.66 0.09 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.807 -179.803 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.5 m -178.81 -72.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.741 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.519 HG22 ' O ' ' A' ' 27' ' ' VAL . 11.8 p -123.94 -3.29 6.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.635 179.95 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.6 p 57.64 106.71 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.864 0.364 . . . . 0.0 111.014 179.979 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.571 ' HA ' HG22 ' A' ' 21' ' ' THR . 40.4 t -176.66 36.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.225 -179.996 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.429 ' CD2' ' HA ' ' A' ' 24' ' ' ARG . 0.7 OUTLIER -65.38 -29.89 70.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.773 179.836 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 60.0 105.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.976 179.894 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.4 t -70.25 159.67 33.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 179.904 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.7 t -100.52 7.36 44.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.383 -179.904 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 47.2 36.01 9.64 Favored Glycine 0 C--N 1.333 0.41 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.784 179.955 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.452 ' HA ' HD13 ' A' ' 15' ' ' LEU . 6.7 mmm180 -108.17 -37.58 5.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.838 0.351 . . . . 0.0 111.121 -179.837 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 48.5 p -153.03 161.89 41.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.966 -179.922 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.1 m -70.82 -28.5 64.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.807 179.846 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -63.19 84.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 179.965 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.8 t -54.95 108.27 1.11 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.96 -179.899 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.23 177.63 6.37 Favored 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.436 2.091 . . . . 0.0 112.327 -179.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.6 m -108.88 54.84 0.65 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -105.68 87.62 2.36 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.937 179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 125.62 12.38 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.567 2.178 . . . . 0.0 112.279 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.414 -1.215 . . . . 0.0 112.461 179.998 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.814 0.34 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 2.4 mtp 60.27 165.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -76.9 -176.4 3.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m -96.54 6.02 49.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.343 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.8 p 49.47 71.47 0.38 Allowed 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.834 0.35 . . . . 0.0 111.07 -179.888 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -82.92 153.67 24.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 -179.873 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.71 -164.74 30.4 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.521 -179.875 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -76.03 -45.19 0.23 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.625 2.217 . . . . 0.0 112.645 -179.88 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -95.05 52.46 1.45 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.051 -179.815 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.7 m -132.9 145.83 51.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.826 179.915 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -105.04 74.43 1.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.799 179.949 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 68.98 -68.28 0.19 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.005 -179.919 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.7 t -144.59 30.29 1.22 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.873 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.4 mptt -152.4 130.12 11.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.795 179.957 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.696 HD11 ' HA ' ' A' ' 36' ' ' SER . 0.3 OUTLIER -50.02 121.61 5.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.933 179.907 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.0 155.3 3.26 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.955 -179.733 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -65.1 144.84 83.25 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.595 2.196 . . . . 0.0 112.385 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.12 165.63 1.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.011 179.889 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.404 ' O ' ' CD2' ' A' ' 31' ' ' TYR . . . 61.78 17.77 55.18 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.631 -179.961 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 88.0 m -110.57 111.76 23.21 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.839 0.352 . . . . 0.0 110.853 179.897 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 t -56.79 167.37 0.78 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 -179.923 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 90.8 m -107.59 -42.13 4.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.789 ' CZ3' HG21 ' A' ' 25' ' ' THR . 31.9 t90 -129.1 83.85 2.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.951 179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.5 ptt180 -60.96 136.57 58.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.789 HG21 ' CZ3' ' A' ' 23' ' ' TRP . 2.5 t -171.44 161.76 6.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.9 -179.956 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -88.66 54.08 2.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -152.08 -45.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 179.949 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.8 t -166.96 136.17 2.85 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.0 p -116.93 149.46 40.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 23.0 m-70 -128.26 80.1 1.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 179.956 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.404 ' CD2' ' O ' ' A' ' 19' ' ' GLY . 27.6 m-85 -60.1 132.24 53.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.978 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.3 m -76.22 173.13 11.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.904 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.3 p -116.7 14.4 15.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.225 -179.978 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.24 24.41 15.73 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.737 179.997 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 42.5 mtm-85 -114.41 -33.17 5.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.73 0.3 . . . . 0.0 110.986 -179.963 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.696 ' HA ' HD11 ' A' ' 15' ' ' LEU . 1.5 m -142.05 156.47 45.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.1 m -70.38 -26.81 63.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.762 179.879 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -69.33 157.74 36.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 179.933 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -114.54 93.06 30.99 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.971 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -67.64 178.19 3.48 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.495 2.13 . . . . 0.0 112.246 -179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.6 m -84.55 57.18 4.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 -179.949 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -123.71 76.91 56.46 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.899 179.916 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.79 -27.09 26.77 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.592 2.195 . . . . 0.0 112.357 -179.972 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.402 -1.221 . . . . 0.0 112.494 -179.969 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.832 0.349 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 4.7 mtp -95.58 82.38 3.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -104.24 114.8 29.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 39.6 m -105.27 111.51 24.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.955 179.957 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.512 HG23 ' SG ' ' A' ' 10' ' ' CYS . 2.1 t -72.64 64.48 0.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.748 179.854 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.66 108.47 0.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.004 -179.845 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.63 -162.85 13.49 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.47 179.958 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.0 -33.46 3.63 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.623 2.215 . . . . 0.0 112.563 -179.8 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.0 t -102.22 29.88 4.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.256 -179.809 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.512 ' SG ' HG23 ' A' ' 5' ' ' THR . 17.9 m -146.65 109.11 4.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.971 179.907 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.8 ttt85 -119.78 139.22 52.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.728 179.844 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.41 ' O ' ' HB3' ' A' ' 13' ' ' CYS . 1.4 mp0 64.4 14.64 8.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.327 -179.927 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.41 ' HB3' ' O ' ' A' ' 12' ' ' GLN . 23.5 t 72.58 50.31 0.18 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.844 -179.833 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -148.02 109.56 4.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.57 179.789 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 mt -45.05 104.0 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.007 -179.95 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt -46.88 149.65 1.49 Allowed Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.122 -179.689 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -65.55 143.83 76.77 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.517 2.145 . . . . 0.0 112.345 -179.967 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.01 154.99 4.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.139 179.968 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.408 ' O ' ' CD1' ' A' ' 31' ' ' TYR . . . 86.39 -6.3 82.37 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.731 -179.819 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.4 m -93.01 113.85 26.24 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.831 0.348 . . . . 0.0 110.845 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 t -58.96 168.32 1.33 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.973 179.949 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 3.9 p -153.79 31.58 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.423 ' CH2' HG21 ' A' ' 27' ' ' VAL . 21.5 t90 -174.19 85.38 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.994 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -104.35 123.37 47.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.959 179.951 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 25' ' ' THR . 18.7 m -155.89 30.94 0.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.963 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.6 m 59.6 29.99 19.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.946 179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.423 HG21 ' CH2' ' A' ' 23' ' ' TRP . 6.9 m -116.42 -37.48 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.187 -179.985 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 32.0 t -177.25 -169.75 0.25 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.941 179.974 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.4 86.72 2.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -77.36 80.72 3.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.408 ' CD1' ' O ' ' A' ' 19' ' ' GLY . 31.4 m-85 -65.18 141.01 58.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 -179.954 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 14.8 m -76.19 166.14 23.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.966 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.4 p -109.33 11.15 25.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.234 179.911 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 51.47 50.43 41.72 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.752 179.975 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.2 mtp85 -151.02 -46.18 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.867 0.365 . . . . 0.0 111.061 -179.922 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 40.3 t -135.08 152.83 52.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.948 -179.943 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -70.71 -24.94 62.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.841 179.917 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -59.06 105.71 0.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.97 -179.93 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 84.6 m -63.07 111.58 5.2 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.4 159.77 4.14 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.397 2.065 . . . . 0.0 112.305 179.981 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.1 m -99.37 31.94 2.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -148.73 152.26 37.17 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 179.963 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.06 137.85 35.53 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.516 2.144 . . . . 0.0 112.327 179.967 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.394 -1.226 . . . . 0.0 112.517 -179.991 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.876 0.37 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -146.24 167.97 22.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -135.2 104.53 5.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 179.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.8 m 60.99 112.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.966 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.495 HG22 ' HB2' ' A' ' 37' ' ' CYS . 1.3 m -70.31 103.42 2.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.947 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.09 157.8 21.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.986 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.93 -169.27 25.35 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.511 -179.88 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -74.48 -45.11 0.34 Allowed 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.649 2.232 . . . . 0.0 112.516 -179.865 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 50.6 t -86.63 57.81 4.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.963 0.411 . . . . 0.0 111.004 -179.849 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.0 m -136.21 134.53 38.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.63 179.865 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -34.62 76.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 165.33 -30.24 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.085 -179.9 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -155.36 26.3 0.41 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.868 179.918 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -173.19 169.88 4.45 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.904 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.401 ' CD2' ' N ' ' A' ' 37' ' ' CYS . 67.3 mt -60.67 137.67 58.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.029 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.8 mttm -72.37 155.46 91.34 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.519 179.754 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -58.8 128.93 29.84 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.534 2.156 . . . . 0.0 112.176 179.924 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.24 116.72 2.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.287 -179.959 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.31 22.18 5.94 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.508 -179.854 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.8 m -112.55 115.92 29.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.844 0.354 . . . . 0.0 110.868 -179.976 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.7 t -59.76 145.74 44.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.984 -179.978 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 71.6 m -84.74 -66.76 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.815 ' CZ3' HG21 ' A' ' 25' ' ' THR . 26.6 t90 -106.72 146.68 30.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.977 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.5 mtt180 -111.84 143.14 43.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.815 HG21 ' CZ3' ' A' ' 23' ' ' TRP . 1.8 t -176.77 162.9 2.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.2 t -90.96 51.18 1.91 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.85 -179.989 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -152.0 -45.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.164 179.992 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.3 m -156.16 179.99 8.7 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.945 -179.981 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.8 t -150.72 146.5 26.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.97 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -109.24 81.24 1.41 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.981 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -67.53 112.24 4.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.4 t -72.58 146.69 46.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 179.966 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.3 t -95.41 13.18 26.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.356 -179.926 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.47 25.41 20.26 Favored Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.755 179.975 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.6 ttt85 -107.03 -34.27 7.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.815 0.34 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.6 p -146.43 151.23 37.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.495 ' HB2' HG22 ' A' ' 5' ' ' THR . 1.1 m -72.32 -22.47 61.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.957 179.999 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -81.93 102.37 10.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.823 179.924 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 20.3 m -59.03 149.41 66.63 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.972 -179.955 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.63 177.59 6.02 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.592 2.194 . . . . 0.0 112.34 179.944 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 86.6 p -88.62 -31.49 18.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 179.943 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 31.5 p90 -86.39 149.04 48.45 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.1 -62.07 0.39 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.572 2.181 . . . . 0.0 112.321 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.38 -1.233 . . . . 0.0 112.508 -179.986 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.798 0.332 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.23 162.17 29.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.992 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -160.11 35.71 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 180.0 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 79.3 m 60.44 110.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.4 ' CG2' ' CB ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER -64.15 147.68 51.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.81 179.932 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.6 p -126.39 128.89 47.74 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.032 -179.859 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.6 -166.29 33.78 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.521 179.926 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -78.86 -44.79 0.13 Allowed 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.74 2.293 . . . . 0.0 112.811 -179.712 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -62.69 -33.47 75.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.076 -179.645 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 30.0 p -102.6 144.86 30.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.738 179.825 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.89 -81.92 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.811 -179.682 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -140.7 8.99 2.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.509 -179.92 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 8.2 t -176.63 -29.01 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.014 0.375 . . . . 0.0 112.014 -179.915 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.8 tttp -129.42 144.28 51.18 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.957 0.408 . . . . 0.0 111.183 -179.489 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.82 HD13 ' C ' ' A' ' 35' ' ' ARG . 0.2 OUTLIER -56.52 124.29 17.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.535 179.623 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.559 ' HD3' HG21 ' A' ' 20' ' ' THR . 2.1 mttm -57.67 156.88 15.89 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.683 -179.797 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -55.24 141.69 80.22 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.524 2.149 . . . . 0.0 112.08 179.905 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -50.53 113.43 0.89 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.232 -179.97 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 138.56 -12.67 3.47 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.681 -179.902 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.559 HG21 ' HD3' ' A' ' 16' ' ' LYS . 1.6 m -70.81 117.32 12.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.831 0.348 . . . . 0.0 110.682 179.955 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.1 148.54 47.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.094 -179.783 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -83.64 -31.15 26.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.964 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -140.62 -66.59 0.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.1 ttt-85 60.93 107.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.915 -179.98 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 39.9 p -149.99 36.43 0.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.818 -179.978 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.8 t 78.19 -56.38 0.48 Allowed 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.068 -179.918 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.4 t -82.92 -30.86 8.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.133 -179.976 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 97.8 p -118.88 159.89 22.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.2 p -176.86 118.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 179.995 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.465 ' CE1' ' HA ' ' A' ' 43' ' ' PRO . 12.9 m-70 -126.03 90.86 3.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.963 179.989 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -67.64 147.34 52.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.96 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 9.7 t -82.62 134.42 35.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.2 t -72.19 -9.44 58.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.249 179.944 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.16 36.8 90.74 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.558 -0.83 . . . . 0.0 112.301 -179.846 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.82 ' C ' HD13 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -118.43 -38.09 3.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.766 0.317 . . . . 0.0 111.025 -179.903 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.478 ' HA ' HD22 ' A' ' 15' ' ' LEU . 32.0 p -162.18 172.46 15.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.011 -179.941 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.4 ' CB ' ' CG2' ' A' ' 5' ' ' THR . 15.5 t -72.7 -20.62 61.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.075 179.905 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -62.02 88.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.81 179.995 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -58.56 145.61 76.16 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.02 163.81 1.95 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.53 2.153 . . . . 0.0 112.369 179.938 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.6 p -109.97 -30.81 7.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 179.916 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 27.3 p90 -84.43 161.28 54.69 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.465 ' HA ' ' CE1' ' A' ' 30' ' ' HIS . 52.9 Cg_exo -52.53 -175.04 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.563 2.176 . . . . 0.0 112.389 179.986 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.423 -1.21 . . . . 0.0 112.512 -179.982 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.31 0 CA-C-O 120.842 0.354 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 2.7 mmt -104.34 -33.1 8.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -175.22 -40.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m 66.33 9.06 6.11 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.629 179.969 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.676 HG22 ' SG ' ' A' ' 37' ' ' CYS . 0.2 OUTLIER 52.01 72.11 0.41 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.826 0.346 . . . . 0.0 111.015 179.919 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -87.13 150.25 24.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.818 -179.978 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.16 -166.42 28.5 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.617 -179.851 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_exo -66.15 -60.02 0.12 Allowed 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.887 2.391 . . . . 0.0 112.653 -179.667 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 98.1 m -82.91 56.79 3.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.935 0.398 . . . . 0.0 111.232 -179.582 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 3.9 m -134.26 162.82 31.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.761 179.797 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.0 ttt-85 -132.34 77.7 1.77 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.926 -179.947 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 69.99 -65.49 0.31 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.897 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.4 t -150.98 31.17 0.62 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.056 -179.738 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -156.77 145.94 20.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.914 179.998 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.509 HD11 ' O ' ' A' ' 35' ' ' ARG . 0.2 OUTLIER -54.85 128.74 34.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 179.964 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -57.4 159.93 7.95 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.942 -179.87 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.8 146.62 54.85 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.553 2.169 . . . . 0.0 112.374 179.98 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.07 103.44 2.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.024 179.87 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.64 31.53 1.34 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.634 179.971 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.476 HG22 ' H ' ' A' ' 21' ' ' THR . 1.2 m -98.43 172.3 7.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.768 0.318 . . . . 0.0 110.805 179.916 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.476 ' H ' HG22 ' A' ' 20' ' ' THR . 0.2 OUTLIER -121.9 113.7 19.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.871 -179.967 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.5 p -90.18 -34.74 15.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 57.4 t90 -167.76 95.86 0.44 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.3 ptt85 -100.32 154.55 18.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -136.63 -177.08 4.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 -179.992 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.14 -32.94 33.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 179.972 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 13.8 m -84.3 -32.37 8.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.096 179.957 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.4 t -146.56 -170.61 3.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -179.965 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -158.95 126.89 5.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 29.0 m170 -100.04 101.65 12.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -105.0 147.66 27.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 5.0 m -88.34 134.89 33.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.799 179.93 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.8 t -95.42 18.68 12.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.155 -179.984 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.01 24.84 15.55 Favored Glycine 0 CA--C 1.518 0.27 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.761 179.957 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.509 ' O ' HD11 ' A' ' 15' ' ' LEU . 2.0 tpt180 -116.95 -37.76 3.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.787 0.327 . . . . 0.0 110.943 -179.915 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.458 ' HA ' HD11 ' A' ' 15' ' ' LEU . 36.9 m -142.69 151.82 41.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 179.989 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.676 ' SG ' HG22 ' A' ' 5' ' ' THR . 1.3 m -72.44 -22.6 61.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.944 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -78.26 115.33 17.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.81 179.914 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.0 m -61.71 153.67 70.15 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.981 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.09 150.93 66.91 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.533 2.156 . . . . 0.0 112.327 179.95 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 95.4 p -98.47 35.53 1.78 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -180.0 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.412 ' CD1' ' N ' ' A' ' 42' ' ' TYR . 3.7 p90 -158.08 154.62 24.6 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.18 163.45 1.57 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.548 2.166 . . . . 0.0 112.295 179.987 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.027 0 CA-C-O 118.372 -1.238 . . . . 0.0 112.516 179.988 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.325 0 CA-C-O 120.792 0.329 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 2.6 mmt -79.3 127.33 31.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -60.75 110.33 1.28 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.978 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 41.3 m 61.02 113.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.961 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.7 p -59.04 112.87 1.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.732 179.832 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -113.24 143.84 43.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.926 -179.985 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.03 -156.91 26.98 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.508 -179.908 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -76.13 -44.65 0.25 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.642 2.228 . . . . 0.0 112.59 -179.812 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.7 m -95.89 57.64 1.84 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.097 -179.831 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.424 ' HB3' ' HA ' ' A' ' 15' ' ' LEU . 0.5 OUTLIER -173.86 135.08 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.88 179.838 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -133.39 150.83 51.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.627 179.878 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 66.74 -74.79 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.3 m -166.95 30.39 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.17 -179.831 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -164.33 158.81 19.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.806 0.336 . . . . 0.0 110.941 179.957 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.602 HD12 ' O ' ' A' ' 16' ' ' LYS . 4.0 pp -58.06 138.44 56.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.799 179.924 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.602 ' O ' HD12 ' A' ' 15' ' ' LEU . 0.8 OUTLIER -60.34 165.75 4.88 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.809 -179.884 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -65.23 143.16 76.41 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.557 2.171 . . . . 0.0 112.236 179.927 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -56.6 157.95 4.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.093 -179.989 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 62.03 24.17 64.66 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.566 -179.951 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 66.4 m -118.35 124.63 48.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.809 0.337 . . . . 0.0 110.833 -179.983 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.853 HG21 ' HD2' ' A' ' 24' ' ' ARG . 1.4 t -57.38 146.33 29.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.0 -179.97 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.6 p -107.14 -40.62 5.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 -179.973 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 19.7 t90 -96.26 -70.83 0.7 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.978 179.978 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.853 ' HD2' HG21 ' A' ' 21' ' ' THR . 3.3 ttt180 61.15 155.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.922 179.985 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.427 HG23 ' O ' ' A' ' 24' ' ' ARG . 15.3 p -156.71 -78.19 0.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.971 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.93 -39.27 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.919 179.943 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.1 p -104.33 -32.34 2.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.065 179.991 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.9 m -125.0 107.4 10.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 179.959 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.8 m -100.09 164.85 11.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.982 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -133.35 -176.29 4.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -153.65 125.28 7.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.8 t -83.76 154.05 23.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.8 t -94.57 1.64 55.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.357 179.995 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.543 ' C ' HD13 ' A' ' 15' ' ' LEU . . . 55.32 39.24 71.5 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.608 -179.959 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.491 ' C ' HD22 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -117.72 -37.13 3.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.789 0.328 . . . . 0.0 111.084 -179.856 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.1 t -161.46 173.91 14.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.951 -179.95 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 98.9 m -69.92 -28.39 65.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.809 179.903 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -62.17 84.5 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 179.973 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.9 t -63.14 134.14 95.7 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.826 179.961 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.73 172.71 13.05 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.47 2.113 . . . . 0.0 112.287 179.984 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.0 t -114.33 35.13 4.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -106.12 86.7 2.12 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 179.954 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.99 97.13 0.64 Allowed 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.564 2.176 . . . . 0.0 112.288 179.984 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.087 0 CA-C-O 118.404 -1.22 . . . . 0.0 112.477 179.972 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.801 0.334 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.6 ptt? -162.23 35.95 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.98 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -142.01 152.7 43.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.986 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.69 -33.48 72.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 63.94 135.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.791 -179.922 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.43 138.88 52.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 179.983 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.72 -165.61 33.61 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.527 -179.988 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.36 -25.87 21.19 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.649 2.233 . . . . 0.0 112.494 -179.943 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -97.93 29.71 3.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.056 -179.888 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 62.5 m -124.38 140.35 53.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.663 179.841 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.2 mtt-85 -84.66 -89.37 0.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.077 -179.782 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.6 tm0? -119.13 -22.0 7.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.659 0.266 . . . . 0.0 111.222 -179.917 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 179.43 37.96 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.979 -179.882 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? -167.07 147.44 5.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.931 -179.954 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.423 HD21 ' C ' ' A' ' 36' ' ' SER . 0.2 OUTLIER -58.54 118.59 5.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 179.93 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.419 ' CE ' HG21 ' A' ' 20' ' ' THR . 27.4 mtmt -56.66 155.35 14.69 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.924 -179.915 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -68.7 145.72 64.34 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.567 2.178 . . . . 0.0 112.33 179.997 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.423 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -57.42 123.12 14.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.112 179.978 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 124.91 -25.43 5.83 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.493 -179.899 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.419 HG21 ' CE ' ' A' ' 16' ' ' LYS . 3.2 m -67.31 120.73 14.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.795 0.331 . . . . 0.0 110.874 179.963 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.828 HG23 ' CD2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -80.54 140.36 35.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.939 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 15.8 p -104.61 -42.51 5.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.957 -179.989 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -115.03 144.81 43.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.985 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -176.27 92.05 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.966 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.9 t -81.36 -36.95 29.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 26.5 t -178.53 -39.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.4 p -117.74 -37.4 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.135 -179.973 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.0 m -62.16 155.78 23.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.961 -179.977 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.3 p -167.42 110.73 0.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 32.1 m-70 -119.74 96.07 5.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.828 ' CD2' HG23 ' A' ' 21' ' ' THR . 40.1 m-85 -73.91 154.37 39.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.997 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 35.4 m -74.41 147.22 42.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 179.952 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 20.7 p -92.95 6.73 46.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.272 179.935 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.423 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 51.73 27.82 20.98 Favored Glycine 0 C--N 1.332 0.33 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.778 179.887 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -136.92 -45.47 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.907 0.384 . . . . 0.0 111.135 -179.968 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.423 ' C ' HD21 ' A' ' 15' ' ' LEU . 1.4 m -123.31 140.51 52.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.899 -179.927 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.7 t -76.27 -13.31 60.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.27 179.898 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -83.82 102.54 12.41 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.824 0.345 . . . . 0.0 110.82 179.965 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -58.57 148.47 65.98 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.47 177.41 6.09 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.576 2.184 . . . . 0.0 112.303 -179.96 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.4 t -105.34 -31.19 9.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.953 179.928 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 28.2 p90 -84.84 149.98 54.84 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 179.967 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -52.0 -178.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.569 2.18 . . . . 0.0 112.332 -179.971 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.378 -1.234 . . . . 0.0 112.542 179.993 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.843 0.354 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 2.0 tpp -99.62 150.62 22.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.995 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 60.56 158.1 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -158.1 124.07 4.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.975 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.526 HG22 ' SG ' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -60.66 107.64 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.736 179.839 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.15 172.19 7.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 -179.936 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.34 165.3 14.11 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.456 -179.991 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -52.97 -25.57 28.54 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.59 2.193 . . . . 0.0 112.373 179.971 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 10.6 t -107.64 25.91 10.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.097 -179.893 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 6.7 m -158.88 109.21 2.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.3 mmt180 -124.79 144.41 50.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.675 179.839 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.6 mm-40 64.04 14.72 8.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.343 -179.843 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.1 m 71.7 48.08 0.32 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.922 -179.817 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -155.84 125.32 6.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.66 179.831 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.508 HD11 ' CA ' ' A' ' 36' ' ' SER . 4.1 mm? -47.43 121.81 4.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.94 -179.906 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -49.58 151.62 2.82 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.067 -179.735 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.0 117.17 3.47 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.534 2.156 . . . . 0.0 112.374 -179.902 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.527 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -57.13 114.59 2.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.047 179.801 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.48 15.41 5.45 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.784 -179.926 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.429 HG22 ' HB2' ' A' ' 32' ' ' CYS . 12.8 t -114.04 173.93 6.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.632 0.253 . . . . 0.0 110.459 179.81 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.1 t -74.55 164.56 26.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.787 179.958 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.38 87.31 2.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.484 ' CH2' HG21 ' A' ' 25' ' ' THR . 1.0 OUTLIER 58.73 173.73 0.07 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.97 179.956 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -161.13 110.15 1.6 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.484 HG21 ' CH2' ' A' ' 23' ' ' TRP . 0.8 OUTLIER -122.49 29.92 6.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 -179.992 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 57.64 22.32 8.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.228 -179.977 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.624 HG22 ' O ' ' A' ' 27' ' ' VAL . 14.7 p -177.97 36.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.901 0.381 . . . . 0.0 111.102 179.914 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.3 m 176.72 72.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.741 179.96 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 19.2 p -107.03 126.83 52.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.967 -179.92 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 -138.83 -162.94 1.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.584 179.897 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -136.95 145.2 43.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.875 0.369 . . . . 0.0 111.153 -179.934 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.429 ' HB2' HG22 ' A' ' 20' ' ' THR . 5.0 m -86.94 125.92 34.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.739 179.899 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.2 p -91.19 14.57 13.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.961 179.641 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.527 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 46.77 43.84 16.77 Favored Glycine 0 C--N 1.334 0.425 0 C-N-CA 120.894 -0.669 . . . . 0.0 112.83 179.963 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -139.42 -46.4 0.46 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.839 0.352 . . . . 0.0 111.165 -179.806 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.508 ' CA ' HD11 ' A' ' 15' ' ' LEU . 3.7 m -131.54 148.43 52.62 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.025 -179.833 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.526 ' SG ' HG22 ' A' ' 5' ' ' THR . 29.1 m -72.67 -20.55 61.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.098 179.882 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -77.59 107.93 10.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 89.9 m -57.46 109.68 1.93 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.5 177.37 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.401 2.067 . . . . 0.0 112.271 179.97 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.42 31.54 3.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.862 -179.974 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -108.18 80.18 1.05 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.994 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.92 174.4 9.7 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.617 2.211 . . . . 0.0 112.278 -179.977 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.406 -1.219 . . . . 0.0 112.51 179.994 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.863 0.363 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.9 139.52 37.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.978 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -149.71 167.9 25.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 19.6 m -91.05 -30.89 16.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.975 179.988 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.72 63.5 1.31 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.742 -179.885 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -54.63 142.5 27.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.109 -179.849 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.76 178.23 37.95 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.402 -179.961 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -69.0 -28.08 29.31 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.579 2.186 . . . . 0.0 112.275 179.987 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 37.2 t -100.56 40.25 1.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.978 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -144.1 112.93 6.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.916 -179.927 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.94 76.12 0.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.685 179.836 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 70.5 -65.14 0.34 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.98 -179.849 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.7 m -147.66 28.88 0.94 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -141.77 143.89 33.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.828 -179.947 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.707 HD22 ' SG ' ' A' ' 37' ' ' CYS . 0.4 OUTLIER -59.62 113.82 2.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.968 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.8 ' HD3' HG21 ' A' ' 20' ' ' THR . 0.0 OUTLIER -57.92 132.79 83.39 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.762 179.948 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -50.57 140.18 36.8 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.461 2.107 . . . . 0.0 112.42 -179.914 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.17 148.11 23.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.959 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.96 -25.0 27.35 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.462 -179.888 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.8 HG21 ' HD3' ' A' ' 16' ' ' LYS . 70.4 m -69.0 109.39 3.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.841 0.353 . . . . 0.0 110.826 -179.993 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.556 HG23 ' CD1' ' A' ' 31' ' ' TYR . 0.1 OUTLIER -77.51 133.76 38.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.841 -179.944 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 26.3 p -79.93 -41.05 26.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 -179.957 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -89.73 -69.57 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.967 179.958 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.01 80.61 0.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.876 179.937 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.6 p -105.49 -77.96 0.58 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 179.995 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 p -177.49 -39.41 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.932 179.935 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.0 p -90.08 -31.15 5.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.077 179.974 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.6 p -123.22 173.86 7.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 m -163.26 97.66 0.91 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -87.14 76.59 9.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.556 ' CD1' HG23 ' A' ' 21' ' ' THR . 38.6 m-85 -67.07 155.23 39.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 4.4 m -80.23 144.57 32.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.792 179.948 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.7 p -96.42 11.07 36.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.16 179.955 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.485 ' HA2' HD12 ' A' ' 15' ' ' LEU . . . 47.85 27.48 4.86 Favored Glycine 0 C--N 1.332 0.344 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.848 179.899 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 20.1 mtt-85 -128.81 -45.09 1.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.91 0.386 . . . . 0.0 111.022 -179.907 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.64 ' C ' HD21 ' A' ' 15' ' ' LEU . 37.9 m -115.47 166.01 12.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.83 179.997 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.707 ' SG ' HD22 ' A' ' 15' ' ' LEU . 16.3 m -109.0 21.35 17.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.998 179.913 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -127.44 110.59 12.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.723 179.784 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.79 145.44 51.98 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.044 -179.843 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -52.85 174.8 0.1 OUTLIER 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.584 2.189 . . . . 0.0 112.331 179.979 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 92.8 p -106.81 -31.57 8.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.94 179.934 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.8 p90 -99.26 156.43 35.44 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.01 134.38 27.32 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.576 2.184 . . . . 0.0 112.31 -179.986 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.375 -1.236 . . . . 0.0 112.523 179.995 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.822 0.344 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -156.15 35.79 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 179.933 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -129.11 172.63 11.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 85.8 m -106.44 108.68 20.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.984 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -71.17 65.88 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.649 179.771 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -48.67 133.63 16.84 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.319 -179.748 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.05 -170.15 43.25 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.386 179.986 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.41 ' HB2' ' CB ' ' A' ' 22' ' ' CYS . 41.6 Cg_endo -67.27 -43.14 6.53 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.538 2.159 . . . . 0.0 112.352 179.984 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.6 t -93.21 48.23 1.31 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.831 -179.994 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -144.72 117.53 8.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.734 -179.928 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.8 mmt180 -64.31 -87.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.837 -179.949 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -115.65 -25.93 7.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.803 0.335 . . . . 0.0 110.791 179.755 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 37.7 t -179.79 36.42 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.772 179.993 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.8 tttp -157.05 162.06 39.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.856 0.36 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.616 HD23 ' SG ' ' A' ' 37' ' ' CYS . 6.7 mt -70.5 118.94 13.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.759 179.905 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.5 mttm -53.87 165.48 0.75 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.705 179.957 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -49.9 123.5 10.87 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.465 2.11 . . . . 0.0 112.399 -179.889 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.516 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -49.35 108.48 0.2 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.145 179.945 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.24 26.45 4.6 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.223 -179.667 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 91.3 m -105.14 115.08 29.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.82 0.343 . . . . 0.0 110.835 -179.881 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 t -59.16 159.51 7.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.967 -179.999 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.41 ' CB ' ' HB2' ' A' ' 8' ' ' PRO . 4.2 p -120.35 -42.31 2.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 179.992 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -130.07 95.96 4.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.963 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -127.4 112.4 14.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.89 -31.86 9.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 179.995 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 m -176.31 -77.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.988 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.1 p -82.53 -32.54 10.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.042 -179.985 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.8 m -74.42 149.23 40.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.6 t -163.76 95.54 0.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.403 ' CG ' ' HA ' ' A' ' 43' ' ' PRO . 11.6 m170 -94.73 79.33 3.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 179.945 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -65.9 138.01 57.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.991 -179.958 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 14.0 t -80.29 158.98 25.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.83 179.882 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.601 HG23 ' HB2' ' A' ' 35' ' ' ARG . 5.5 t -106.95 14.42 26.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.272 -179.985 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.516 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 52.35 24.55 16.83 Favored Glycine 0 C--N 1.331 0.271 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.791 179.96 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.601 ' HB2' HG23 ' A' ' 33' ' ' THR . 39.3 mtp85 -114.33 -37.82 4.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.886 0.374 . . . . 0.0 110.86 -179.959 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.405 ' CA ' HD22 ' A' ' 15' ' ' LEU . 50.0 m -129.57 160.55 32.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.704 179.894 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.616 ' SG ' HD23 ' A' ' 15' ' ' LEU . 20.4 m -95.58 11.68 32.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.048 179.865 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.7 mp0 -130.23 114.66 15.94 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.657 179.763 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 9.8 m -56.65 136.62 77.79 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.031 -179.819 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.51 177.91 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.411 2.074 . . . . 0.0 112.261 179.993 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.5 m -74.77 -30.85 61.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.917 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 21.1 p90 -96.43 156.86 36.33 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 -179.966 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.403 ' HA ' ' CG ' ' A' ' 30' ' ' HIS . 56.4 Cg_endo -70.52 179.67 3.93 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.546 2.164 . . . . 0.0 112.342 179.983 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.347 -1.252 . . . . 0.0 112.537 -179.963 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.782 0.325 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 35.8 tpp 60.56 110.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.94 -179.97 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.67 169.76 10.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 -179.989 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 57.5 m -105.54 107.81 18.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.748 HG23 ' SG ' ' A' ' 37' ' ' CYS . 2.2 t -82.05 71.83 9.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.526 179.715 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -45.89 127.34 8.08 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.499 -179.652 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.78 -166.99 31.32 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.308 179.997 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -73.99 -28.49 11.06 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.573 2.182 . . . . 0.0 112.281 179.991 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -103.95 30.67 4.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 179.879 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.61 111.19 17.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.632 179.978 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.92 -87.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.957 -179.812 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -119.02 -22.65 7.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.725 0.297 . . . . 0.0 111.107 179.977 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 176.2 36.38 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.851 -179.891 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.7 mttm -166.23 150.83 7.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.93 0.395 . . . . 0.0 111.045 -179.913 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.718 HD21 ' C ' ' A' ' 34' ' ' GLY . 16.2 tp -56.71 123.54 15.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.976 179.905 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -62.78 162.01 24.62 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.308 179.435 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -52.46 127.76 25.3 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.396 2.064 . . . . 0.0 112.25 -179.981 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.595 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -50.18 145.59 5.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.069 179.847 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.413 ' O ' ' CD1' ' A' ' 31' ' ' TYR . . . 73.38 14.41 79.37 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.613 -179.834 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 94.3 m -101.12 110.04 22.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.864 0.364 . . . . 0.0 110.801 179.937 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 t -51.9 131.69 31.31 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.177 179.949 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 28.1 p -100.55 -30.9 11.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 3.9 t90 -93.68 -61.8 1.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.015 0.436 . . . . 0.0 110.864 179.916 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.705 ' O ' HG23 ' A' ' 25' ' ' THR . 23.8 ttm-85 62.39 119.78 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.951 179.958 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.705 HG23 ' O ' ' A' ' 24' ' ' ARG . 0.7 OUTLIER -170.0 178.16 4.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.868 179.967 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 t -98.59 30.26 3.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.949 179.966 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.2 p -113.4 -33.12 2.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 -179.941 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.8 t -178.39 -38.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.6 p 62.88 146.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.449 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 3.6 m-70 -119.87 -169.36 1.76 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.413 ' CD1' ' O ' ' A' ' 19' ' ' GLY . 15.1 m-85 -149.83 148.19 28.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.805 179.913 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -63.14 132.46 51.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.97 0.414 . . . . 0.0 110.741 179.999 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.549 HG23 ' H ' ' A' ' 35' ' ' ARG . 8.8 t -75.55 -3.36 33.76 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.225 179.752 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.718 ' C ' HD21 ' A' ' 15' ' ' LEU . . . 56.06 24.31 42.67 Favored Glycine 0 C--N 1.332 0.337 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.565 -179.707 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.549 ' H ' HG23 ' A' ' 33' ' ' THR . 0.7 OUTLIER -126.55 -44.21 1.7 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.872 0.368 . . . . 0.0 111.103 -179.944 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.647 ' C ' HD13 ' A' ' 15' ' ' LEU . 25.0 p -144.71 161.55 38.92 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.795 179.891 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.748 ' SG ' HG23 ' A' ' 5' ' ' THR . 94.7 m -72.3 -22.94 61.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.942 179.99 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -74.34 99.3 3.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.701 179.834 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.3 m -58.69 144.45 80.15 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.001 -179.874 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.444 ' HB2' ' CD2' ' A' ' 42' ' ' TYR . 64.8 Cg_endo -73.71 177.79 7.6 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.61 2.207 . . . . 0.0 112.326 -179.984 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 95.6 p -107.17 31.25 5.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.948 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.444 ' CD2' ' HB2' ' A' ' 40' ' ' PRO . 14.7 m-85 -105.32 149.59 37.91 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.951 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.83 -26.58 27.09 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.55 2.167 . . . . 0.0 112.376 179.963 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.358 -1.245 . . . . 0.0 112.496 179.969 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.845 0.355 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -148.93 139.13 22.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.987 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 60.93 156.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.978 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.571 ' CB ' ' HA ' ' A' ' 13' ' ' CYS . 1.5 p -156.94 107.6 2.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.086 179.993 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.07 95.81 1.67 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.698 179.877 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -49.81 105.01 0.08 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.274 -179.858 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.18 -152.62 5.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.444 -179.965 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -73.33 -37.93 2.97 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.608 2.205 . . . . 0.0 112.356 -179.981 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -84.97 -28.72 25.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.047 -179.912 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.809 ' SG ' HD22 ' A' ' 15' ' ' LEU . 16.0 m -102.78 140.44 37.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.851 179.944 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.1 ttt85 -150.84 -55.16 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.223 -179.93 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -90.51 12.93 17.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.385 -179.88 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.571 ' HA ' ' CB ' ' A' ' 4' ' ' CYS . 7.9 t 79.08 30.23 0.33 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.996 0.427 . . . . 0.0 110.704 -179.578 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.6 mmtt -146.11 106.0 3.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.057 179.564 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.809 HD22 ' SG ' ' A' ' 10' ' ' CYS . 0.1 OUTLIER -40.47 113.31 0.35 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.287 -179.439 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.6 mttt -46.59 164.41 0.22 Allowed Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.199 -179.695 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -60.72 147.28 95.48 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.671 2.247 . . . . 0.0 112.367 -179.942 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.53 167.88 1.81 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.966 179.804 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 59.53 19.26 47.41 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.635 -179.893 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 93.6 m -102.83 103.67 13.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.845 0.355 . . . . 0.0 110.696 179.909 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.0 143.89 41.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.996 -179.912 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 33.6 m -84.44 -58.75 2.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -92.39 -79.01 0.4 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.97 83.76 0.12 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 179.99 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.8 p -115.18 -40.82 3.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.72 -38.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.949 179.966 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.8 t -111.89 -34.36 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.077 -179.986 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.99 146.52 27.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.4 t -165.36 78.27 0.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.5 m-70 -102.68 102.47 12.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -76.05 143.65 41.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.3 m -83.59 145.64 28.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 -179.952 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.0 p -103.33 22.71 13.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 179.836 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 52.04 27.39 22.14 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.69 -179.943 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -119.87 -69.87 0.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.94 0.4 . . . . 0.0 110.99 -179.936 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.725 ' C ' HD21 ' A' ' 15' ' ' LEU . 5.2 t -101.82 146.53 27.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.832 -179.936 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.661 ' N ' HD21 ' A' ' 15' ' ' LEU . 5.2 m -72.89 -17.89 61.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.021 179.947 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -92.54 111.38 22.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.818 0.342 . . . . 0.0 110.938 -179.975 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.6 m -61.61 110.28 2.99 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.808 179.985 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -68.59 176.99 5.16 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.46 2.106 . . . . 0.0 112.286 179.965 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -85.36 57.22 4.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.88 -179.997 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -116.18 81.54 10.53 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.874 -179.996 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.26 157.59 6.38 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.52 2.147 . . . . 0.0 112.359 179.975 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.371 -1.238 . . . . 0.0 112.529 -179.977 . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.85 0.357 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.9 mtt 60.42 -176.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -122.51 114.97 21.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 179.984 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 82.3 m -108.25 -29.08 9.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.0 179.969 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.3 t 43.3 73.55 0.14 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.408 -179.922 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 45.7 p -58.47 129.45 42.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.953 -179.948 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.0 177.65 45.19 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.462 179.988 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -79.12 55.53 5.65 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.651 2.234 . . . . 0.0 112.508 -179.901 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -174.35 35.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.013 179.933 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.8 p -171.27 112.03 0.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.911 179.83 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.2 89.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.959 -179.958 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 68.71 -67.82 0.2 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.092 179.983 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 47.1 t -151.31 45.4 0.8 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.93 -179.89 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -147.39 119.5 8.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.761 179.87 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 35.7 mt -48.63 108.18 0.17 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.94 179.983 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.49 147.92 7.35 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.866 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -52.31 128.04 26.05 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.687 2.258 . . . . 0.0 112.198 179.955 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -51.75 116.87 2.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.266 -179.987 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.66 23.87 5.19 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.484 -179.924 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 69.5 m -110.95 123.01 49.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.793 0.33 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -59.79 154.56 18.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.9 p -123.07 -43.14 2.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.989 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 24.3 t90 -131.14 134.42 46.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.943 179.984 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -175.23 117.1 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.901 -179.998 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.2 t -106.55 -33.14 7.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.942 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 p -177.72 -39.42 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.932 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -110.47 -31.61 2.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.099 -179.987 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.9 t -74.6 149.32 40.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.972 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.5 t -173.54 103.35 0.12 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.439 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 2.7 m-70 -130.61 125.24 33.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 -179.956 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -96.4 137.22 35.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.946 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.4 172.13 11.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.947 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.472 HG23 ' HB2' ' A' ' 35' ' ' ARG . 1.9 t -112.73 16.33 19.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.25 -179.977 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 53.57 24.6 25.09 Favored Glycine 0 C--N 1.332 0.325 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.766 179.944 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.472 ' HB2' HG23 ' A' ' 33' ' ' THR . 5.1 mmm180 -111.09 -32.93 6.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.828 0.347 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.4 m -143.7 172.97 12.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.998 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.7 t -103.42 16.99 25.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.137 179.899 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -123.24 104.2 9.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.868 179.93 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.5 m -59.4 148.18 74.03 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.43 177.54 6.61 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.541 2.16 . . . . 0.0 112.336 -179.993 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.2 m -91.72 -31.6 15.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 28.9 p90 -79.19 154.26 77.17 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.421 ' HA ' ' CE1' ' A' ' 30' ' ' HIS . 53.8 Cg_exo -52.24 153.48 12.87 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.569 2.179 . . . . 0.0 112.281 -179.967 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.124 0 CA-C-O 118.389 -1.228 . . . . 0.0 112.465 -179.962 . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.843 0.354 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 40.8 mtm 60.38 179.84 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.96 -179.962 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 60.49 159.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.994 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.2 m -101.55 -30.3 11.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.451 HG23 ' HB2' ' A' ' 37' ' ' CYS . 3.7 t 43.43 70.79 0.28 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.381 -179.939 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 48.1 p -53.76 113.02 1.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.113 -179.911 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.73 173.23 38.07 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.532 -179.957 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.78 -22.02 27.85 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.616 2.211 . . . . 0.0 112.554 -179.978 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.01 24.56 5.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.257 -179.89 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 81.1 m -137.22 145.89 44.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.814 179.908 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -82.98 -85.47 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.045 -179.884 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -114.31 -25.34 8.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.963 -179.995 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 178.13 38.38 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.973 -179.939 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -157.11 142.8 17.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.943 -179.978 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.795 HD21 ' C ' ' A' ' 36' ' ' SER . 0.3 OUTLIER -58.54 115.25 2.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.809 179.987 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.7 mttt -55.55 159.9 4.39 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.0 -179.959 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -68.43 146.09 67.27 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.533 2.155 . . . . 0.0 112.324 179.995 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -55.82 146.45 21.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.114 179.927 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 98.02 -22.72 39.42 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.544 -179.916 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.0 m -67.71 106.82 2.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.854 0.359 . . . . 0.0 110.901 -179.984 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.914 HG23 ' CD2' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -68.0 138.46 55.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.811 -179.978 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.1 p -117.45 -40.34 3.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.98 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.423 ' HB3' ' CD2' ' A' ' 30' ' ' HIS . 0.1 OUTLIER -93.6 85.12 4.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.997 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.1 mtt-85 -117.26 114.46 23.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.965 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.548 ' O ' HG23 ' A' ' 27' ' ' VAL . 18.9 p -136.54 31.92 2.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.979 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.0 m 60.69 31.45 20.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.928 179.974 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 25' ' ' THR . 21.4 t -140.93 -46.33 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.161 179.993 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -140.83 -176.24 4.59 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 m -147.87 121.11 8.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.423 ' CD2' ' HB3' ' A' ' 23' ' ' TRP . 11.4 m170 -105.49 82.77 1.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.948 179.981 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.914 ' CD2' HG23 ' A' ' 21' ' ' THR . 22.1 m-85 -60.16 150.52 29.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.999 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.8 t -80.1 145.96 32.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.2 p -98.08 13.48 30.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.912 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 48.97 27.21 6.45 Favored Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.765 179.975 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -121.3 -69.22 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.963 0.411 . . . . 0.0 111.111 -179.874 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.795 ' C ' HD21 ' A' ' 15' ' ' LEU . 3.7 m -117.37 150.24 39.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.953 -179.887 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.619 ' N ' HD21 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -72.76 -21.11 61.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.009 179.972 . . . . . . . . 3 3 . 1 . 042 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -65.5 102.32 0.69 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 66.5 m -60.13 149.76 73.63 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 179.96 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.04 177.47 5.73 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.581 2.187 . . . . 0.0 112.312 179.978 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.8 t -123.89 35.61 4.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -161.92 156.21 18.92 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.999 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.98 127.04 13.86 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.592 2.195 . . . . 0.0 112.261 -179.994 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.487 179.974 . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.84 0.352 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.4 32.25 20.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.2 p30 -174.69 170.59 3.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.2 m 66.53 8.94 6.17 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.595 179.953 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 53.69 63.93 2.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.922 0.391 . . . . 0.0 110.88 -179.936 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.37 163.93 26.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.012 -179.859 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.16 179.64 24.29 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.426 -179.902 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -73.68 -26.96 13.2 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.55 2.167 . . . . 0.0 112.465 -179.938 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.0 t -111.8 68.15 0.66 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.001 0.429 . . . . 0.0 111.065 -179.913 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.6 m -135.29 -178.94 5.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.44 ' O ' ' CB ' ' A' ' 12' ' ' GLN . 5.9 ttt85 -129.52 43.32 3.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.862 179.991 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.44 ' CB ' ' O ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER 87.0 -34.37 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.409 -179.991 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.1 t -169.13 33.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.761 0.315 . . . . 0.0 110.963 179.976 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.1 ttpt -166.45 146.49 6.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.858 179.95 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.804 HD11 ' C ' ' A' ' 36' ' ' SER . 0.1 OUTLIER -55.54 127.86 31.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.792 179.939 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.53 148.67 17.19 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.964 -179.904 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_exo -51.37 134.52 45.25 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.518 2.146 . . . . 0.0 112.342 -179.951 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.663 ' HB2' ' HA3' ' A' ' 34' ' ' GLY . . . -58.86 116.78 3.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.98 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.12 26.45 7.41 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.493 179.964 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 89.9 m -122.82 113.52 19.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.853 0.359 . . . . 0.0 110.838 -179.984 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 t -59.76 147.98 35.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.907 179.937 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 13.1 p -101.51 -32.36 10.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 8.3 t90 -131.12 110.13 10.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 179.973 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.01 141.05 51.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.36 35.04 0.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.972 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.544 ' O ' HG13 ' A' ' 27' ' ' VAL . 1.0 OUTLIER 60.32 34.14 20.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.952 -179.996 . . . . . . . . 3 3 . 1 . 043 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.544 HG13 ' O ' ' A' ' 26' ' ' SER . 5.7 m -159.03 -44.69 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.206 179.998 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 79.0 p -127.05 120.42 28.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 88.6 p -131.56 110.35 10.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.432 ' CD2' ' N ' ' A' ' 30' ' ' HIS . 4.6 m-70 -107.33 93.86 4.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.976 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -61.65 136.82 58.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.86 172.68 9.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.968 -179.963 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.3 t -110.85 7.68 21.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.243 179.902 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.663 ' HA3' ' HB2' ' A' ' 18' ' ' ALA . . . 55.31 27.71 47.89 Favored Glycine 0 C--N 1.332 0.306 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.61 -179.966 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -124.51 -43.79 2.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.863 0.364 . . . . 0.0 111.038 -179.968 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.804 ' C ' HD11 ' A' ' 15' ' ' LEU . 19.6 m -130.9 148.74 52.7 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.963 -179.994 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.2 m -71.65 -22.02 61.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 179.92 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -79.85 108.38 13.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.7 m -59.77 147.17 79.33 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.31 177.58 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.565 2.176 . . . . 0.0 112.269 179.983 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 34.0 p -100.17 -31.29 11.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 54.6 p90 -87.66 160.41 47.45 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.428 ' HA ' ' CE1' ' A' ' 30' ' ' HIS . 53.4 Cg_exo -52.2 -176.9 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.61 2.207 . . . . 0.0 112.309 179.952 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.328 -1.262 . . . . 0.0 112.462 -179.998 . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.762 0.315 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 5.0 ttt 60.34 161.95 0.05 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -67.56 152.12 46.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 71.6 m -143.45 116.21 8.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.96 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.9 p -70.56 66.07 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.791 179.931 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -58.21 88.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.018 -179.93 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.28 -174.41 20.75 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 -179.977 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.3 -25.65 18.34 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.622 2.215 . . . . 0.0 112.426 -179.945 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 m -98.05 24.57 6.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.162 -179.876 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 33.2 m -145.07 150.02 36.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.785 179.872 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.97 126.52 36.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.027 -179.945 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 68.14 -68.9 0.16 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.11 179.907 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 35.8 t -175.62 36.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.927 -179.873 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -148.77 131.63 16.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.795 179.994 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.405 HD11 ' HA ' ' A' ' 36' ' ' SER . 0.2 OUTLIER -51.87 119.02 3.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 179.96 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.789 ' HD2' HG21 ' A' ' 20' ' ' THR . 24.7 mtmt -51.05 163.41 0.51 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.038 -179.853 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_endo -62.09 139.83 80.7 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.554 2.169 . . . . 0.0 112.288 179.996 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.79 115.49 3.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.043 179.974 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.01 24.95 5.29 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 -179.982 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.789 HG21 ' HD2' ' A' ' 16' ' ' LYS . 25.4 m -95.83 115.9 28.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.795 0.331 . . . . 0.0 110.827 -179.985 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.701 HG21 ' OG ' ' A' ' 29' ' ' SER . 0.0 OUTLIER -63.85 120.77 12.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 -179.993 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.1 p -113.66 31.21 6.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.973 179.968 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -176.86 85.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.3 mtp180 -97.17 140.65 31.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.992 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.8 p -145.16 -77.71 0.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.2 t -177.1 -39.6 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.929 179.973 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.3 p -99.07 -32.82 3.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.06 180.0 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.26 -169.15 1.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.966 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.701 ' OG ' HG21 ' A' ' 21' ' ' THR . 0.2 OUTLIER -165.42 -43.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.952 179.973 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 59.48 107.64 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.928 179.929 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -98.09 150.84 21.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 1.6 t -82.72 160.8 22.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.998 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.5 t -101.87 4.55 40.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.355 179.955 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 54.78 24.21 32.48 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.714 -179.947 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 32.6 ttt180 -117.05 -39.48 3.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.84 0.352 . . . . 0.0 110.916 -179.952 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.405 ' HA ' HD11 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -144.0 154.49 43.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.828 179.984 . . . . . . . . 3 3 . 1 . 044 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -71.56 -24.84 62.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.926 179.983 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -63.02 97.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 60.7 m -57.92 109.71 1.99 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.93 -179.992 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -52.71 177.41 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.399 2.066 . . . . 0.0 112.307 179.955 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.9 p -108.28 39.66 1.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 25.6 m-85 -105.45 87.94 2.4 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.977 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -69.35 122.72 9.51 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.529 2.153 . . . . 0.0 112.325 179.968 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.332 -1.26 . . . . 0.0 112.526 -179.98 . . . . . . . . 0 0 . 1 stop_ save_