data_2do6_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 2do6 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.0 t . . . . . 0 N--CA 1.465 0.315 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -57.74 -38.07 74.71 Favored 'General case' 0 C--O 1.233 0.191 0 O-C-N 121.45 -0.781 . . . . 0.0 112.728 -178.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.4 -38.05 89.64 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -66.98 -40.45 87.43 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.46 0.704 . . . . 0.0 109.546 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 95.5 mt -61.6 -51.08 77.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 N-CA-C 106.36 -1.719 . . . . 0.0 106.36 178.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.4 -41.1 68.87 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 122.975 0.51 . . . . 0.0 110.279 179.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.5 tptt -54.65 -63.25 1.21 Allowed 'General case' 0 C--O 1.234 0.246 0 C-N-CA 125.102 1.361 . . . . 0.0 110.637 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.58 -36.22 82.0 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.382 1.073 . . . . 0.0 112.268 -179.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 87.5 mtp -58.96 -29.96 67.56 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 119.578 1.081 . . . . 0.0 108.937 178.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.67 -16.36 69.81 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 124.324 0.964 . . . . 0.0 112.382 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -78.78 -7.54 57.92 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 118.458 1.129 . . . . 0.0 108.975 178.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.08 44.92 3.19 Favored Glycine 0 C--N 1.343 0.944 0 C-N-CA 125.353 1.454 . . . . 0.0 113.057 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -126.77 152.83 46.37 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 118.58 1.19 . . . . 0.0 109.839 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.01 147.62 48.42 Favored 'General case' 0 C--N 1.339 0.131 0 C-N-CA 123.143 0.577 . . . . 0.0 109.964 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -50.37 -44.05 54.6 Favored 'General case' 0 C--O 1.224 -0.257 0 C-N-CA 124.811 1.245 . . . . 0.0 111.999 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -57.21 -49.15 76.91 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.669 1.188 . . . . 0.0 112.408 -178.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -65.17 -40.14 93.88 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 125.467 1.507 . . . . 0.0 109.212 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 88.4 t -66.41 -45.63 88.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 O-C-N 121.406 -0.809 . . . . 0.0 109.587 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.8 -38.8 76.16 Favored 'General case' 0 CA--C 1.528 0.126 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 179.225 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.07 -50.98 68.44 Favored 'General case' 0 C--N 1.339 0.148 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 179.358 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.44 -45.83 84.26 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 122.991 0.516 . . . . 0.0 112.359 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -69.12 -28.44 66.47 Favored 'General case' 0 C--N 1.34 0.169 0 CA-C-O 117.512 -1.232 . . . . 0.0 111.715 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -64.99 -58.68 5.48 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 61.2 mt -55.98 -51.33 62.41 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 C-N-CA 126.297 1.839 . . . . 0.0 110.264 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.75 12.76 0.07 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.297 1.839 . . . . 0.0 115.813 -178.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 51.74 41.55 29.18 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 120.975 1.716 . . . . 0.0 109.026 -177.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.0 m120 55.37 54.95 7.94 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 127.615 2.366 . . . . 0.0 111.517 -179.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -126.48 118.96 26.01 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 121.041 -1.037 . . . . 0.0 109.769 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 30.9 t -61.06 -46.74 96.07 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 C-N-CA 125.367 1.467 . . . . 0.0 112.729 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -59.12 -31.71 69.18 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 125.207 1.403 . . . . 0.0 111.861 -177.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 98.2 t -90.88 -40.29 12.52 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 127.792 2.437 . . . . 0.0 111.121 -179.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.94 -32.18 72.57 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 124.345 1.058 . . . . 0.0 111.47 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 20.1 ttm180 -58.72 -36.87 74.99 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 118.978 -0.534 . . . . 0.0 109.75 179.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.9 m -68.29 -34.76 76.75 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.926 0.89 . . . . 0.0 111.319 179.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 82.1 mt -67.66 -50.76 57.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 C-N-CA 123.831 0.853 . . . . 0.0 108.705 -179.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.9 mt -62.54 -34.29 76.62 Favored 'General case' 0 N--CA 1.461 0.088 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -59.36 -44.72 92.67 Favored 'General case' 0 C--O 1.224 -0.254 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 178.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -69.16 -52.99 22.48 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.318 1.047 . . . . 0.0 111.432 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 . . . . . 0 CA--C 1.532 0.258 0 N-CA-C 116.11 1.893 . . . . 0.0 116.11 -178.366 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 20.3 t . . . . . 0 N--CA 1.464 0.267 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.55 -44.37 85.15 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 123.943 0.897 . . . . 0.0 109.777 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.5 -20.09 59.02 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.957 0.903 . . . . 0.0 112.955 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 41.0 mttp -89.87 -45.01 9.54 Favored 'General case' 0 CA--C 1.519 -0.213 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 79.4 mt -59.55 -55.89 20.8 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.14 -21.55 33.42 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.545 0.738 . . . . 0.0 112.529 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 58.2 tttt -78.82 -58.42 3.25 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 119.38 0.991 . . . . 0.0 109.659 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.04 -33.3 71.84 Favored 'General case' 0 C--N 1.339 0.15 0 CA-C-N 119.015 0.825 . . . . 0.0 111.743 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 90.9 mtp -60.29 -30.54 69.54 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 118.75 0.704 . . . . 0.0 110.335 178.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.03 -21.15 76.82 Favored Glycine 0 CA--C 1.528 0.847 0 CA-C-O 118.878 -0.957 . . . . 0.0 111.849 179.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -64.9 -53.65 43.22 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 105.874 -1.898 . . . . 0.0 105.874 178.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 151.16 16.12 0.07 OUTLIER Glycine 0 CA--C 1.532 1.12 0 CA-C-O 118.28 -1.289 . . . . 0.0 114.231 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -100.81 152.33 20.64 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 119.565 1.683 . . . . 0.0 111.011 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.18 160.66 32.06 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.676 0.791 . . . . 0.0 111.808 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -56.73 -45.07 82.14 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.602 0.761 . . . . 0.0 110.724 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -51.53 -53.95 32.42 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 125.622 1.569 . . . . 0.0 110.252 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -62.07 -46.98 86.72 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 126.591 1.956 . . . . 0.0 112.13 -178.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 84.2 t -64.64 -53.37 43.18 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 C-N-CA 123.249 0.619 . . . . 0.0 111.451 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 mtpt -54.89 -39.65 68.95 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 118.022 0.374 . . . . 0.0 110.309 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -64.95 -53.98 37.76 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.45 -43.55 71.73 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 122.714 0.405 . . . . 0.0 111.916 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.84 -43.12 97.12 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-O 118.183 -0.913 . . . . 0.0 111.061 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -59.45 -38.73 81.47 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 119.159 0.89 . . . . 0.0 111.585 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 81.7 mt -72.05 -42.21 67.84 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 C-N-CA 124.329 1.052 . . . . 0.0 109.019 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.17 6.85 2.49 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 128.689 2.796 . . . . 0.0 114.362 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 57.51 45.77 19.01 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 119.58 1.082 . . . . 0.0 108.256 -176.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 48.33 62.1 2.69 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 128.872 2.869 . . . . 0.0 110.557 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 64.4 t-20 -135.06 120.26 18.89 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.167 1.387 . . . . 0.0 110.45 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 29.1 t -58.63 -44.94 90.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 C-N-CA 124.164 0.985 . . . . 0.0 111.64 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -55.2 -39.3 69.47 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.064 0.946 . . . . 0.0 112.687 -177.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 61.3 t -86.56 -38.55 12.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-O 118.861 -0.59 . . . . 0.0 109.798 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.64 -33.33 46.35 Favored 'General case' 0 C--N 1.342 0.263 0 CA-C-N 119.184 0.902 . . . . 0.0 111.707 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -58.43 -51.15 71.06 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 178.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 6.3 m -59.76 -30.33 68.78 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.487 1.115 . . . . 0.0 112.264 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 99.6 mt -75.54 -46.01 38.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 21.7 mt -63.34 -30.92 71.97 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 178.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -67.17 -23.07 65.73 Favored 'General case' 0 CA--C 1.529 0.137 0 O-C-N 121.111 -0.993 . . . . 0.0 109.953 177.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -91.67 -43.33 9.66 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 119.136 0.88 . . . . 0.0 110.748 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -76.61 -22.7 53.81 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 119.068 0.849 . . . . 0.0 112.637 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 7.7 t . . . . . 0 N--CA 1.45 -0.455 0 C-N-CA 125.154 1.381 . . . . 0.0 111.521 -179.593 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 38.3 t . . . . . 0 N--CA 1.465 0.324 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -52.87 -46.79 68.06 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 125.007 1.323 . . . . 0.0 110.806 -179.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.81 -33.1 75.19 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.021 0.928 . . . . 0.0 110.889 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 46.7 mttp -64.66 -44.69 89.58 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 119.475 1.034 . . . . 0.0 108.361 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 92.8 mt -63.06 -49.35 83.79 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.62 -34.89 67.69 Favored 'General case' 0 CA--C 1.536 0.426 0 O-C-N 121.604 -0.685 . . . . 0.0 112.251 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.6 tptm -61.35 -63.52 1.25 Allowed 'General case' 0 C--N 1.339 0.121 0 C-N-CA 124.899 1.28 . . . . 0.0 108.47 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.16 -35.75 77.96 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 118.39 -0.814 . . . . 0.0 112.358 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 84.3 mtp -58.56 -34.63 71.26 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 119.789 1.177 . . . . 0.0 110.064 178.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -66.97 -18.2 68.51 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 123.867 0.746 . . . . 0.0 112.484 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -72.1 -14.61 61.89 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.741 1.27 . . . . 0.0 109.485 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.66 39.82 1.83 Allowed Glycine 0 CA--C 1.526 0.769 0 C-N-CA 125.364 1.459 . . . . 0.0 111.47 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -128.89 149.11 50.91 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 119.027 1.413 . . . . 0.0 109.911 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.17 154.29 33.29 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 121.702 0.763 . . . . 0.0 110.409 -179.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -52.3 -39.02 59.97 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 126.624 1.97 . . . . 0.0 111.434 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -62.5 -46.51 88.1 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 119.201 0.909 . . . . 0.0 110.628 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -62.3 -50.59 71.06 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 124.366 1.066 . . . . 0.0 109.21 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 65.9 t -62.86 -48.33 88.56 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 C-N-CA 124.3 1.04 . . . . 0.0 111.937 -178.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -62.43 -38.08 88.34 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 118.047 -0.978 . . . . 0.0 109.187 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.6 tpt180 -64.71 -48.74 73.54 Favored 'General case' 0 C--N 1.341 0.196 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.18 -60.17 3.69 Favored 'General case' 0 N--CA 1.434 -1.244 0 C-N-CA 125.929 1.692 . . . . 0.0 108.873 179.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -56.35 -25.66 50.06 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 119.473 1.033 . . . . 0.0 112.941 -178.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -69.13 -46.98 66.3 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 81.8 mt -66.01 -48.15 82.68 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 C-N-CA 125.454 1.501 . . . . 0.0 110.061 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.69 12.47 0.07 Allowed 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 116.537 2.051 . . . . 0.0 116.537 -178.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 55.8 37.2 28.57 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 120.311 1.414 . . . . 0.0 108.735 -177.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 51.98 57.76 6.16 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 128.089 2.556 . . . . 0.0 113.089 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 64.1 t-20 -131.86 123.94 28.53 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 126.518 1.927 . . . . 0.0 110.767 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 33.5 t -65.44 -40.69 89.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 C-N-CA 126.231 1.812 . . . . 0.0 112.67 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -59.81 -41.65 91.72 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.328 1.051 . . . . 0.0 110.939 -178.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.8 t -78.62 -44.29 25.84 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.15 -29.11 29.56 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 -178.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -54.63 -49.49 70.39 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 119.32 0.963 . . . . 0.0 110.795 178.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.5 m -65.28 -23.82 67.14 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.997 1.319 . . . . 0.0 113.753 -179.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 71.7 mt -80.59 -48.33 19.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 N-CA-C 106.487 -1.672 . . . . 0.0 106.487 179.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.5 mt -62.76 -26.38 68.68 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 120.405 -1.435 . . . . 0.0 110.676 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 -60.87 -53.45 57.11 Favored 'General case' 0 C--O 1.226 -0.172 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 177.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -69.55 -39.54 77.35 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 118.432 0.56 . . . . 0.0 112.096 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 . . . . . 0 C--O 1.234 0.276 0 N-CA-C 115.216 1.562 . . . . 0.0 115.216 -178.895 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 71.3 t . . . . . 0 CA--C 1.529 0.149 0 CA-C-O 119.333 -0.365 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -55.36 -41.28 72.34 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 123.926 0.89 . . . . 0.0 110.261 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.04 -38.24 85.46 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 126.092 1.757 . . . . 0.0 110.772 178.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 42.3 mttp -71.48 -42.48 68.02 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 118.191 -0.909 . . . . 0.0 109.116 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 94.1 mt -57.66 -51.86 64.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 N-CA-C 106.908 -1.516 . . . . 0.0 106.908 178.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.95 -36.43 67.79 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 122.147 0.179 . . . . 0.0 110.955 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 38.5 tttt -56.17 -45.04 79.85 Favored 'General case' 0 CA--C 1.528 0.1 0 O-C-N 121.106 -0.996 . . . . 0.0 111.836 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -69.23 -31.97 70.9 Favored 'General case' 0 CA--C 1.527 0.088 0 CA-C-N 119.275 0.943 . . . . 0.0 109.832 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 94.7 mtp -63.9 -21.93 66.69 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 177.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.41 -23.48 73.48 Favored Glycine 0 CA--C 1.536 1.351 0 N-CA-C 108.815 -1.714 . . . . 0.0 108.815 176.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -88.94 -49.43 6.79 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 177.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 134.51 8.37 1.99 Allowed Glycine 0 C--N 1.344 0.985 0 N-CA-C 117.359 1.704 . . . . 0.0 117.359 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -72.03 170.32 14.11 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 120.602 2.201 . . . . 0.0 109.837 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.52 151.39 25.43 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 177.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -52.75 -43.8 66.02 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 124.47 1.108 . . . . 0.0 113.552 -178.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -63.29 -42.36 99.08 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 122.815 0.446 . . . . 0.0 111.353 -178.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -61.87 -43.5 98.71 Favored 'General case' 0 CA--C 1.529 0.138 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 88.2 t -63.26 -53.17 49.33 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 C-N-CA 123.554 0.742 . . . . 0.0 110.508 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 19.2 ttpt -54.87 -36.68 65.37 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 18.8 tpt180 -68.65 -55.24 12.14 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.87 -40.87 76.96 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 125.982 1.713 . . . . 0.0 113.804 -178.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -60.57 -39.46 88.08 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 119.674 1.125 . . . . 0.0 110.762 -179.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -62.96 -46.12 89.21 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 119.248 0.931 . . . . 0.0 110.483 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 59.8 mt -59.35 -48.6 86.5 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.58 12.56 0.34 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 127.533 2.333 . . . . 0.0 115.445 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 51.79 43.88 29.71 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 120.942 1.701 . . . . 0.0 110.08 -178.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 50.71 41.2 25.8 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 128.106 2.562 . . . . 0.0 112.034 -179.252 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -114.52 115.71 27.66 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.9 t -56.77 -41.5 75.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 C-N-CA 123.834 0.853 . . . . 0.0 110.431 179.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -52.9 -34.18 53.79 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 125.328 1.451 . . . . 0.0 111.348 -178.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 38.8 t -97.42 -34.8 4.98 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-N 118.244 0.475 . . . . 0.0 109.795 179.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.88 -37.49 71.44 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 119.228 0.922 . . . . 0.0 109.908 179.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -56.95 -49.95 74.12 Favored 'General case' 0 C--O 1.222 -0.36 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 178.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 17.6 m -60.73 -30.1 69.78 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 125.183 1.393 . . . . 0.0 113.725 -179.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 86.3 mt -74.48 -56.89 7.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 178.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 42.3 mt -56.36 -32.61 64.9 Favored 'General case' 0 CA--C 1.519 -0.225 0 C-N-CA 125.603 1.561 . . . . 0.0 111.992 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -48.94 -52.81 22.61 Favored 'General case' 0 CA--C 1.512 -0.49 0 C-N-CA 125.305 1.442 . . . . 0.0 111.167 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -90.63 -28.03 18.68 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 118.579 -0.724 . . . . 0.0 112.879 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -63.06 -31.55 72.72 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 119.129 0.877 . . . . 0.0 108.768 179.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 N--CA 1.446 -0.648 0 C-N-CA 126.451 1.9 . . . . 0.0 110.454 179.963 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.6 p . . . . . 0 CA--C 1.536 0.427 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -55.88 -51.05 68.94 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 120.394 1.452 . . . . 0.0 110.491 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.51 -31.94 69.83 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.458 0.703 . . . . 0.0 111.558 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.0 mttt -71.27 -39.39 71.58 Favored 'General case' 0 CA--C 1.519 -0.215 0 C-N-CA 123.665 0.786 . . . . 0.0 109.416 179.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 78.9 mt -62.04 -49.05 85.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 N-CA-C 105.624 -1.991 . . . . 0.0 105.624 178.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.28 -25.58 67.19 Favored 'General case' 0 CA--C 1.536 0.417 0 O-C-N 121.856 -0.528 . . . . 0.0 111.868 179.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.8 tttt -69.56 -63.79 1.0 Allowed 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -59.57 -34.99 73.4 Favored 'General case' 0 C--O 1.225 -0.186 0 C-N-CA 123.672 0.789 . . . . 0.0 111.562 -179.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 49.2 mmm -57.06 -26.48 60.44 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 119.15 0.886 . . . . 0.0 111.085 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.2 -18.21 74.7 Favored Glycine 0 CA--C 1.527 0.843 0 O-C-N 121.017 -1.052 . . . . 0.0 112.771 178.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -80.22 -6.38 57.74 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.194 1.398 . . . . 0.0 111.378 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.94 -0.51 55.08 Favored Glycine 0 C--N 1.34 0.77 0 C-N-CA 124.49 1.043 . . . . 0.0 114.404 179.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -74.8 161.99 29.08 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 118.627 1.213 . . . . 0.0 110.89 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.21 152.37 26.45 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 124.001 0.92 . . . . 0.0 110.274 179.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -55.04 -42.53 72.79 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 123.518 0.727 . . . . 0.0 110.456 179.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -57.93 -53.56 56.81 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 124.346 1.058 . . . . 0.0 110.585 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -59.68 -47.08 87.05 Favored 'General case' 0 CA--C 1.516 -0.342 0 C-N-CA 125.318 1.447 . . . . 0.0 110.822 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 64.3 t -58.87 -56.61 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 C-N-CA 124.751 1.22 . . . . 0.0 109.18 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.8 mtpt -56.62 -40.66 75.73 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-O 119.111 -0.471 . . . . 0.0 110.579 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.2 tpt180 -64.08 -46.26 85.08 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 -178.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.14 -43.92 97.78 Favored 'General case' 0 N--CA 1.445 -0.675 0 C-N-CA 123.081 0.552 . . . . 0.0 110.76 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.3 -43.49 98.79 Favored 'General case' 0 C--N 1.342 0.246 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 179.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -57.82 -45.34 86.29 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.283 1.433 . . . . 0.0 110.903 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.2 mt -68.69 -44.47 82.38 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.62 0.7 8.03 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 128.807 2.843 . . . . 0.0 115.375 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 59.96 53.85 4.49 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.666 1.186 . . . . 0.0 108.685 -176.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 49.57 50.51 18.1 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 128.079 2.552 . . . . 0.0 110.778 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -124.17 120.98 33.87 Favored 'General case' 0 C--N 1.333 -0.14 0 O-C-N 121.475 -0.766 . . . . 0.0 111.368 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 38.6 t -63.36 -53.18 48.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 C-N-CA 125.941 1.696 . . . . 0.0 110.834 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -49.8 -48.2 50.83 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.701 1.2 . . . . 0.0 110.595 -178.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 69.1 t -73.92 -43.6 52.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 123.05 0.54 . . . . 0.0 110.543 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.22 -34.63 66.5 Favored 'General case' 0 C--N 1.341 0.214 0 CA-C-N 119.332 0.969 . . . . 0.0 110.995 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 35.0 mtp180 -60.89 -25.46 66.73 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 117.468 -1.254 . . . . 0.0 110.296 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.3 m -79.02 -55.43 5.13 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-N 120.038 1.29 . . . . 0.0 108.037 178.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 78.9 mt -49.84 -46.36 22.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 C-N-CA 125.534 1.534 . . . . 0.0 111.518 -178.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.2 mt -62.87 -22.58 66.8 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 118.265 -0.874 . . . . 0.0 112.142 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.8 mmt85 -70.56 -44.35 67.59 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 120.31 1.414 . . . . 0.0 107.381 178.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -57.84 -57.57 12.17 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 . . . . . 0 N--CA 1.466 0.365 0 CA-C-N 118.813 0.733 . . . . 0.0 112.652 -179.391 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 6.9 p . . . . . 0 CA--C 1.537 0.471 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -48.05 -57.19 6.13 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 126.861 2.064 . . . . 0.0 112.106 -179.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.42 -24.88 67.65 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 21.9 mttp -72.09 -41.45 67.3 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 97.1 mt -61.34 -50.92 78.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.29 -36.89 66.65 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 118.014 0.37 . . . . 0.0 111.873 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 72.2 tttt -63.95 -62.46 1.62 Allowed 'General case' 0 C--N 1.34 0.167 0 C-N-CA 124.377 1.071 . . . . 0.0 109.846 179.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -59.2 -35.95 74.5 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-O 118.996 -0.526 . . . . 0.0 111.951 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 41.6 mmm -55.89 -36.04 67.2 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 119.355 0.98 . . . . 0.0 109.345 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.87 -8.91 55.05 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 124.929 1.252 . . . . 0.0 113.496 179.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -91.29 1.8 56.84 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.606 1.203 . . . . 0.0 110.7 178.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.06 48.48 3.09 Favored Glycine 0 C--N 1.338 0.659 0 C-N-CA 124.097 0.856 . . . . 0.0 114.382 178.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -132.55 159.0 40.71 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 123.314 0.645 . . . . 0.0 109.781 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.26 155.35 20.11 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 123.923 0.889 . . . . 0.0 110.877 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -55.75 -42.23 75.1 Favored 'General case' 0 N--CA 1.465 0.295 0 O-C-N 121.699 -0.626 . . . . 0.0 111.622 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -65.45 -27.7 68.7 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -82.61 -46.3 13.47 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 91.7 t -60.63 -55.6 23.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 125.009 1.324 . . . . 0.0 110.751 -179.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -58.86 -35.09 72.38 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-O 118.889 -0.577 . . . . 0.0 110.804 -179.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -65.68 -51.83 56.29 Favored 'General case' 0 N--CA 1.457 -0.117 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.31 -44.17 95.68 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.399 0.68 . . . . 0.0 111.601 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -58.87 -47.96 83.05 Favored 'General case' 0 C--N 1.34 0.156 0 CA-C-O 118.342 -0.837 . . . . 0.0 109.631 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -53.91 -50.32 66.66 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.415 1.086 . . . . 0.0 110.544 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 74.9 mt -59.07 -48.33 87.09 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 C-N-CA 124.194 0.997 . . . . 0.0 108.974 -179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.83 12.93 0.32 Allowed 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.157 1.783 . . . . 0.0 114.274 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 53.4 43.67 31.04 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 121.037 1.744 . . . . 0.0 109.172 -178.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 53.26 39.64 30.05 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 128.164 2.585 . . . . 0.0 112.235 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -104.53 122.86 46.45 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 178.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 29.6 t -59.2 -58.92 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.146 0 C-N-CA 124.71 1.204 . . . . 0.0 112.277 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -52.95 -42.9 65.91 Favored 'General case' 0 CA--C 1.522 -0.11 0 C-N-CA 124.272 1.029 . . . . 0.0 111.961 -176.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 62.9 t -72.84 -41.02 61.19 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 C-N-CA 125.281 1.433 . . . . 0.0 109.528 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.37 -30.6 71.31 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 119.172 0.896 . . . . 0.0 111.432 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 10.2 mtp180 -55.14 -48.66 73.37 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 118.591 0.632 . . . . 0.0 109.699 178.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 6.8 m -56.97 -42.47 80.24 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.043 1.337 . . . . 0.0 112.085 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 98.1 mt -60.89 -52.68 58.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 13.5 mt -61.78 -33.43 74.08 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-O 118.439 -0.791 . . . . 0.0 110.153 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.0 -47.78 83.27 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 119.557 1.072 . . . . 0.0 109.773 179.059 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.98 -47.07 69.57 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.006 0.922 . . . . 0.0 111.173 -179.376 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -69.29 -53.06 21.68 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 119.082 0.856 . . . . 0.0 110.995 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 CA--C 1.533 0.327 0 C-N-CA 126.049 1.74 . . . . 0.0 108.47 179.879 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.0 t . . . . . 0 CA--C 1.53 0.194 0 CA-C-O 118.968 -0.539 . . . . 0.0 110.814 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -57.14 -41.11 78.51 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 119.613 1.097 . . . . 0.0 112.131 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.3 -34.76 77.21 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 122.895 0.478 . . . . 0.0 110.46 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -72.42 -40.1 67.37 Favored 'General case' 0 CA--C 1.516 -0.337 0 O-C-N 121.615 -0.678 . . . . 0.0 109.479 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 79.1 mt -60.48 -50.02 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 106.53 -1.655 . . . . 0.0 106.53 178.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.97 -40.27 69.84 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 122.691 0.396 . . . . 0.0 109.979 179.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.8 tptt -57.79 -60.98 2.87 Favored 'General case' 0 C--N 1.341 0.219 0 C-N-CA 124.57 1.148 . . . . 0.0 110.951 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.28 -34.46 77.72 Favored 'General case' 0 C--O 1.226 -0.141 0 CA-C-N 118.377 0.535 . . . . 0.0 111.249 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 91.0 mtp -61.02 -32.58 72.18 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 107.629 -1.248 . . . . 0.0 107.629 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.08 -10.26 64.97 Favored Glycine 0 CA--C 1.532 1.098 0 C-N-CA 125.607 1.575 . . . . 0.0 112.405 178.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -86.61 -11.43 51.45 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 118.796 1.298 . . . . 0.0 109.231 178.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.3 23.15 8.63 Favored Glycine 0 C--N 1.34 0.763 0 CA-C-O 118.274 -1.292 . . . . 0.0 113.763 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -106.23 154.36 20.83 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 119.363 1.582 . . . . 0.0 111.77 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.07 145.08 38.11 Favored 'General case' 0 C--N 1.343 0.301 0 C-N-CA 123.623 0.769 . . . . 0.0 111.431 -178.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -53.17 -40.02 64.02 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -178.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -64.99 -17.08 64.12 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -97.05 -34.4 11.18 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 124.744 1.218 . . . . 0.0 108.24 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 68.0 t -67.54 -56.58 12.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 C-N-CA 124.285 1.034 . . . . 0.0 112.336 -178.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.1 ttpt -56.1 -34.46 66.05 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 118.531 0.605 . . . . 0.0 109.684 -179.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -67.23 -47.95 69.26 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 124.859 1.264 . . . . 0.0 109.1 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.17 -44.72 94.8 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 118.307 0.503 . . . . 0.0 110.517 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.47 -22.61 64.56 Favored 'General case' 0 C--N 1.341 0.2 0 CA-C-O 118.169 -0.919 . . . . 0.0 111.51 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -71.75 -55.88 6.81 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 107.035 -1.469 . . . . 0.0 107.035 177.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.5 mt -58.18 -51.01 76.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 C-N-CA 124.784 1.233 . . . . 0.0 109.613 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.54 7.67 0.44 Allowed 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 126.433 1.893 . . . . 0.0 114.531 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 50.24 49.79 19.88 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 122.603 1.192 . . . . 0.0 110.352 -179.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.3 m120 56.81 31.84 20.25 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 128.732 2.813 . . . . 0.0 113.782 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -109.25 118.75 37.53 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 120.669 1.577 . . . . 0.0 110.515 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.4 t -62.76 -41.73 93.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 123.903 0.881 . . . . 0.0 112.126 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -62.17 -30.26 70.93 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -177.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.8 t -86.78 -47.7 15.97 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 C-N-CA 124.448 1.099 . . . . 0.0 109.1 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.61 -32.41 58.78 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.61 1.164 . . . . 0.0 111.479 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 31.9 mtt-85 -54.94 -43.98 73.89 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.186 0.994 . . . . 0.0 110.51 178.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.8 m -71.19 -37.96 72.12 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 118.075 -0.964 . . . . 0.0 111.758 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.7 mt -56.96 -44.31 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-O 122.371 1.081 . . . . 0.0 109.137 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 79.4 mt -69.97 -22.67 63.13 Favored 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 120.998 -1.064 . . . . 0.0 112.903 -178.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 35.9 mtp-105 -72.25 -35.81 68.9 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 119.57 1.077 . . . . 0.0 108.729 178.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -77.89 -33.48 51.97 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-O 118.956 -0.545 . . . . 0.0 111.426 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 . . . . . 0 N--CA 1.464 0.264 0 CA-C-N 119.383 0.992 . . . . 0.0 113.1 179.579 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 17.9 t . . . . . 0 N--CA 1.471 0.605 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -59.58 -44.83 93.2 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 121.105 -0.997 . . . . 0.0 110.776 -179.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.62 -19.81 58.96 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.369 0.667 . . . . 0.0 111.921 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -91.13 -39.96 11.86 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.391 1.077 . . . . 0.0 109.128 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 73.6 mt -59.81 -52.13 64.73 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 N-CA-C 105.192 -2.151 . . . . 0.0 105.192 178.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.41 -15.27 57.1 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.627 0.771 . . . . 0.0 112.868 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 34.3 tptt -78.96 -62.03 1.83 Allowed 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 178.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.22 -36.71 78.31 Favored 'General case' 0 C--O 1.226 -0.135 0 C-N-CA 124.698 1.199 . . . . 0.0 111.831 -178.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 89.4 mtp -59.89 -23.52 63.53 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 119.421 1.01 . . . . 0.0 112.771 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -77.5 -19.54 76.09 Favored Glycine 0 CA--C 1.526 0.773 0 CA-C-O 119.236 -0.758 . . . . 0.0 111.464 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -73.66 -4.43 34.24 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 118.592 1.196 . . . . 0.0 111.526 179.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.49 -17.14 21.36 Favored Glycine 0 CA--C 1.523 0.564 0 C-N-CA 127.309 2.385 . . . . 0.0 115.824 177.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -68.06 146.89 53.07 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 -177.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.65 155.92 37.26 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 125.733 1.613 . . . . 0.0 111.88 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -57.0 -41.88 79.28 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 123.843 0.857 . . . . 0.0 111.329 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -63.76 -23.72 67.48 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.275 0.63 . . . . 0.0 111.781 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -91.85 -41.79 10.43 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 85.7 t -64.99 -54.94 23.57 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.23 0 O-C-N 120.986 -1.071 . . . . 0.0 113.287 -178.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt -56.13 -34.2 65.89 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 119.98 -0.688 . . . . 0.0 110.275 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -64.9 -55.39 19.6 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 107.278 -1.378 . . . . 0.0 107.278 178.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.12 -47.93 68.25 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.355 1.062 . . . . 0.0 111.446 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.47 -36.61 84.33 Favored 'General case' 0 C--O 1.225 -0.229 0 CA-C-O 117.994 -1.003 . . . . 0.0 111.312 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -62.7 -47.95 81.4 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 120.031 1.287 . . . . 0.0 110.094 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 18.7 mt -63.86 -44.19 98.03 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 124.592 1.157 . . . . 0.0 109.907 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.62 10.26 0.89 Allowed 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.22 1.808 . . . . 0.0 114.285 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 52.77 42.5 31.82 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 120.923 1.692 . . . . 0.0 108.888 -177.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 28.1 m120 59.95 17.83 6.98 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 129.377 3.071 . . . . 0.0 112.066 -178.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 42.7 t-20 -89.46 118.76 29.34 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 121.915 2.143 . . . . 0.0 112.133 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 25.4 t -58.77 -44.02 89.27 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 C-N-CA 125.185 1.394 . . . . 0.0 110.632 179.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -53.28 -43.4 67.45 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 124.479 1.112 . . . . 0.0 110.797 -178.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 39.2 t -83.37 -38.52 14.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-O 118.843 -0.599 . . . . 0.0 110.835 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.2 -29.23 45.29 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 119.316 0.962 . . . . 0.0 111.483 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 32.7 mtt180 -60.13 -47.29 86.53 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-O 118.788 -0.625 . . . . 0.0 109.665 178.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 4.9 m -59.45 -32.85 70.6 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.648 1.179 . . . . 0.0 112.286 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 60.7 mt -73.36 -51.44 25.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 125.72 1.608 . . . . 0.0 109.23 -179.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 20.1 mt -63.83 -29.0 70.24 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 120.705 -1.247 . . . . 0.0 109.941 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.68 -23.92 67.41 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 117.557 -1.211 . . . . 0.0 110.224 177.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -94.96 -47.93 6.21 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 119.981 1.264 . . . . 0.0 110.829 178.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -63.09 -50.61 69.89 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 -178.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 C--O 1.233 0.219 0 C-N-CA 123.315 0.646 . . . . 0.0 111.889 -178.471 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.7 p . . . . . 0 N--CA 1.467 0.397 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -56.03 -37.77 69.66 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 121.381 -0.824 . . . . 0.0 111.9 -178.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.22 -45.82 89.89 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.3 mttp -62.06 -40.87 97.25 Favored 'General case' 0 C--O 1.225 -0.205 0 C-N-CA 124.231 1.012 . . . . 0.0 110.457 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 89.0 mt -59.33 -55.77 21.52 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.26 -38.62 66.01 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 122.343 -0.223 . . . . 0.0 111.581 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.5 tttm -55.38 -63.35 1.19 Allowed 'General case' 0 C--N 1.343 0.321 0 C-N-CA 124.656 1.183 . . . . 0.0 110.579 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.39 -34.28 76.41 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 118.024 -0.989 . . . . 0.0 112.887 -179.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 98.2 mtp -57.63 -25.66 60.44 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 119.66 1.118 . . . . 0.0 110.052 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.07 -15.66 72.18 Favored Glycine 0 CA--C 1.53 1.029 0 C-N-CA 125.099 1.333 . . . . 0.0 113.139 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -85.45 -10.03 56.7 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.359 1.579 . . . . 0.0 111.624 178.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.69 55.26 0.79 Allowed Glycine 0 C--N 1.337 0.587 0 C-N-CA 123.711 0.672 . . . . 0.0 111.796 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -139.97 147.03 39.89 Favored 'General case' 0 C--O 1.242 0.682 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 178.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.15 161.1 27.61 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 124.035 0.934 . . . . 0.0 111.365 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -52.03 -47.94 64.77 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 125.111 1.365 . . . . 0.0 112.872 -179.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -61.13 -47.1 87.8 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -178.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -57.59 -49.38 76.61 Favored 'General case' 0 CA--C 1.52 -0.201 0 C-N-CA 125.376 1.47 . . . . 0.0 110.059 -178.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.1 t -63.48 -46.92 93.87 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 C-N-CA 123.642 0.777 . . . . 0.0 110.105 -179.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.6 mtpt -56.9 -41.52 78.23 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 178.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -64.16 -47.89 78.09 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.08 -46.64 88.89 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 118.588 -0.72 . . . . 0.0 111.261 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -63.02 -33.0 74.49 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 120.418 1.463 . . . . 0.0 110.319 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -64.92 -49.09 71.78 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 119.814 1.188 . . . . 0.0 108.823 178.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.4 mt -69.86 -32.89 53.48 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 C-N-CA 125.105 1.362 . . . . 0.0 111.545 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.25 13.75 4.03 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 127.592 2.357 . . . . 0.0 114.844 -178.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 54.69 38.74 30.57 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 120.75 1.614 . . . . 0.0 110.118 -178.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.2 t30 56.35 39.42 30.11 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.39 1.876 . . . . 0.0 111.783 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -117.64 120.66 38.7 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 125.04 1.336 . . . . 0.0 111.938 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.5 t -61.42 -43.81 97.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 C-N-CA 124.259 1.024 . . . . 0.0 111.204 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -56.71 -28.39 60.87 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 124.57 1.148 . . . . 0.0 112.547 -177.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.8 t -98.63 -42.75 11.34 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.8 -34.88 55.65 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 118.978 0.808 . . . . 0.0 110.749 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -55.17 -53.2 58.93 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 125.706 1.602 . . . . 0.0 109.221 178.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.4 m -68.48 -25.88 65.2 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.126 0.97 . . . . 0.0 113.159 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 91.0 mt -67.4 -58.5 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 N-CA-C 106.589 -1.634 . . . . 0.0 106.589 178.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.3 mt -55.58 -36.03 66.43 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 125.31 1.444 . . . . 0.0 110.167 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.43 -38.58 74.61 Favored 'General case' 0 CA--C 1.527 0.095 0 CA-C-O 119.127 -0.463 . . . . 0.0 111.334 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -100.23 -21.79 15.37 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 118.405 -0.807 . . . . 0.0 112.787 -179.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.469 0.475 0 CA-C-N 120.093 1.315 . . . . 0.0 107.642 178.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 CA--C 1.535 0.396 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -54.12 -37.43 64.33 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 120.779 -1.201 . . . . 0.0 113.713 -178.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.0 -25.58 66.99 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.483 0.713 . . . . 0.0 112.198 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 20.0 mttp -83.59 -39.71 19.99 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 178.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 91.3 mt -58.31 -53.69 42.84 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 N-CA-C 106.917 -1.512 . . . . 0.0 106.917 178.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.58 -33.12 63.63 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 123.147 0.579 . . . . 0.0 112.32 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -64.55 -64.62 0.83 Allowed 'General case' 0 C--N 1.341 0.211 0 C-N-CA 124.537 1.135 . . . . 0.0 108.834 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.37 -37.39 75.14 Favored 'General case' 0 C--N 1.341 0.228 0 CA-C-N 118.634 0.652 . . . . 0.0 111.296 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 80.4 mtp -59.91 -25.74 65.37 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 119.197 0.908 . . . . 0.0 110.004 178.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -82.05 -7.68 87.53 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 124.606 1.098 . . . . 0.0 112.542 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -92.25 -3.53 55.37 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.416 -1.049 . . . . 0.0 110.965 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.78 62.53 1.07 Allowed Glycine 0 C--N 1.341 0.844 0 C-N-CA 124.652 1.12 . . . . 0.0 113.747 178.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -146.76 148.06 31.56 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 125.334 1.454 . . . . 0.0 108.307 178.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.5 156.08 39.4 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-O 120.976 0.417 . . . . 0.0 111.432 -178.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -55.77 -42.04 74.92 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -178.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -68.83 -34.34 75.33 Favored 'General case' 0 CA--C 1.528 0.121 0 CA-C-N 118.808 0.731 . . . . 0.0 111.251 -178.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -67.11 -44.6 79.52 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 123.809 0.844 . . . . 0.0 109.037 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 84.3 t -62.24 -53.85 42.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 124.157 0.983 . . . . 0.0 111.141 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -56.15 -38.42 70.83 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 118.136 0.425 . . . . 0.0 110.655 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -64.18 -53.61 46.66 Favored 'General case' 0 CA--C 1.52 -0.179 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.3 -45.58 84.03 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 123.711 0.804 . . . . 0.0 112.129 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.15 -39.34 89.75 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-O 117.213 -1.375 . . . . 0.0 110.4 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -57.65 -51.58 68.92 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 119.78 1.173 . . . . 0.0 109.333 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 66.5 mt -61.8 -47.46 93.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 C-N-CA 125.117 1.367 . . . . 0.0 109.467 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.79 9.76 0.25 Allowed 'General case' 0 C--O 1.234 0.285 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 -179.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 55.65 42.44 29.44 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 120.297 1.408 . . . . 0.0 108.215 -178.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 58.6 t30 44.71 55.03 6.21 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 128.76 2.824 . . . . 0.0 111.87 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 -128.15 117.73 22.11 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.872 1.669 . . . . 0.0 108.518 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 84.0 t -63.58 -36.04 74.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 O-C-N 121.189 -0.945 . . . . 0.0 110.578 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -56.27 -31.18 63.37 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 124.574 1.15 . . . . 0.0 111.629 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 49.2 t -99.11 -41.62 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.692 0 C-N-CA 124.018 0.927 . . . . 0.0 110.559 -178.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.65 -33.25 68.11 Favored 'General case' 0 N--CA 1.463 0.214 0 O-C-N 121.247 -0.908 . . . . 0.0 111.7 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 15.5 ttm180 -58.77 -42.16 88.28 Favored 'General case' 0 C--N 1.341 0.231 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 46.9 m -71.22 -33.31 69.76 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.639 -0.663 . . . . 0.0 111.091 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 55.9 mt -63.81 -57.84 9.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 29.5 mt -57.82 -34.48 69.71 Favored 'General case' 0 C--O 1.231 0.1 0 C-N-CA 123.301 0.641 . . . . 0.0 111.203 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -58.45 -48.17 81.59 Favored 'General case' 0 C--O 1.226 -0.169 0 C-N-CA 122.957 0.503 . . . . 0.0 109.875 179.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -80.24 -30.59 38.53 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -179.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -69.57 -53.03 20.88 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-N 119.064 0.847 . . . . 0.0 111.407 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 N--CA 1.455 -0.188 0 CA-C-O 118.378 -0.82 . . . . 0.0 112.742 -178.381 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.7 t . . . . . 0 CA--C 1.532 0.258 0 N-CA-C 111.34 0.126 . . . . 0.0 111.34 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -56.46 -35.32 67.79 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 124.42 1.088 . . . . 0.0 113.928 -177.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.15 -25.34 67.7 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 122.343 0.257 . . . . 0.0 110.464 178.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 42.1 mttp -77.64 -44.84 26.87 Favored 'General case' 0 CA--C 1.518 -0.261 0 C-N-CA 124.094 0.957 . . . . 0.0 108.631 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 94.7 mt -54.45 -59.07 2.44 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.33 -38.88 66.51 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 112.4 0.518 . . . . 0.0 112.4 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.6 tttt -57.14 -53.75 54.56 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 121.51 -0.744 . . . . 0.0 110.725 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -71.07 -34.67 71.41 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 118.463 -0.779 . . . . 0.0 111.028 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 92.2 mtp -59.9 -33.92 72.49 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 120.017 1.281 . . . . 0.0 109.404 178.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.07 -25.93 60.41 Favored Glycine 0 CA--C 1.53 1.009 0 CA-C-O 119.395 -0.669 . . . . 0.0 111.72 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -63.79 -25.41 68.17 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 119.243 1.521 . . . . 0.0 110.955 178.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 122.69 -5.29 9.89 Favored Glycine 0 CA--C 1.529 0.963 0 C-N-CA 125.654 1.597 . . . . 0.0 111.434 -178.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -73.36 155.8 39.01 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 118.914 1.357 . . . . 0.0 110.789 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.91 162.82 16.69 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.974 0.909 . . . . 0.0 111.775 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -57.95 -41.97 83.93 Favored 'General case' 0 C--O 1.238 0.461 0 O-C-N 121.217 -0.927 . . . . 0.0 112.307 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -60.87 -21.49 63.34 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.692 0.797 . . . . 0.0 112.26 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -91.41 -50.84 5.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 122.422 1.106 . . . . 0.0 110.077 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 94.3 t -62.43 -56.63 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 C-N-CA 125.175 1.39 . . . . 0.0 114.119 -177.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -56.5 -32.62 65.2 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 118.531 0.605 . . . . 0.0 111.264 -178.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 27.8 tpt180 -72.28 -54.72 8.71 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.86 -41.54 70.92 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.394 0.678 . . . . 0.0 111.611 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -63.06 -37.98 89.37 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-O 116.859 -1.543 . . . . 0.0 109.636 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -66.05 -49.38 67.86 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 120.791 1.632 . . . . 0.0 110.48 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 68.0 mt -56.63 -40.15 67.44 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.77 7.46 4.68 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.932 1.693 . . . . 0.0 113.344 179.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 54.4 46.44 25.04 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 120.847 1.658 . . . . 0.0 108.774 -177.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 31.4 m120 53.91 35.38 21.67 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 128.738 2.815 . . . . 0.0 111.366 -178.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -102.38 117.01 33.81 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 178.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.2 t -60.46 -48.23 89.28 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-O 118.876 -0.583 . . . . 0.0 112.461 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -55.54 -52.6 63.18 Favored 'General case' 0 C--N 1.332 -0.162 0 O-C-N 123.557 0.536 . . . . 0.0 110.073 -177.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.7 t -64.63 -39.62 86.25 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 CA-C-O 119.048 -0.501 . . . . 0.0 110.222 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.86 -31.82 65.19 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 119.001 0.819 . . . . 0.0 110.617 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -56.97 -51.86 67.52 Favored 'General case' 0 C--N 1.345 0.376 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 178.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.6 m -60.84 -33.65 73.37 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.942 1.297 . . . . 0.0 112.597 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 60.1 mt -70.87 -49.35 50.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 C-N-CA 125.01 1.324 . . . . 0.0 109.112 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 18.0 mt -63.12 -31.98 73.26 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.481 0.712 . . . . 0.0 109.109 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 -65.98 -19.1 65.75 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-O 117.957 -1.021 . . . . 0.0 111.078 178.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -98.04 -41.89 7.75 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 119.802 1.183 . . . . 0.0 110.21 178.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 . . . . . 0 C--N 1.34 0.167 0 O-C-N 123.7 0.625 . . . . 0.0 110.835 179.672 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 81.8 t . . . . . 0 N--CA 1.467 0.403 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -50.2 -46.33 54.39 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 126.205 1.802 . . . . 0.0 112.012 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.1 -19.96 55.92 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.108 0.963 . . . . 0.0 112.181 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 45.3 mttp -90.35 -41.67 11.37 Favored 'General case' 0 CA--C 1.52 -0.191 0 C-N-CA 125.108 1.363 . . . . 0.0 108.609 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 14.0 mt -54.66 -59.02 2.57 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 178.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.0 -38.81 76.82 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 122.13 -0.356 . . . . 0.0 111.475 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -59.25 -55.13 38.79 Favored 'General case' 0 C--N 1.339 0.129 0 O-C-N 121.409 -0.807 . . . . 0.0 110.022 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -65.03 -38.13 89.88 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 117.955 -1.022 . . . . 0.0 111.5 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 84.0 mtp -56.07 -40.66 73.93 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 119.668 1.122 . . . . 0.0 108.708 178.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.22 -16.01 59.55 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 124.571 1.081 . . . . 0.0 113.742 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -77.59 -15.23 59.36 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.474 1.637 . . . . 0.0 108.543 178.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.55 54.05 0.7 Allowed Glycine 0 C--N 1.34 0.76 0 C-N-CA 125.523 1.535 . . . . 0.0 112.713 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -136.87 160.52 38.63 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 125.383 1.473 . . . . 0.0 109.344 178.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.04 149.66 23.86 Favored 'General case' 0 C--N 1.343 0.32 0 CA-C-N 119.105 0.866 . . . . 0.0 109.625 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -52.85 -44.13 66.54 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 125.127 1.371 . . . . 0.0 114.434 -178.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -64.15 -26.27 68.45 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -177.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -84.36 -45.8 12.4 Favored 'General case' 0 C--O 1.226 -0.16 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 53.1 t -58.77 -47.71 88.32 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 C-N-CA 124.51 1.124 . . . . 0.0 110.308 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 8.5 ttpt -56.88 -39.14 73.81 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 119.212 -0.423 . . . . 0.0 109.882 179.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 -67.77 -49.7 61.03 Favored 'General case' 0 C--N 1.341 0.197 0 C-N-CA 123.844 0.857 . . . . 0.0 108.81 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.35 -44.4 72.14 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.594 1.157 . . . . 0.0 112.396 -178.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -70.66 -26.64 63.54 Favored 'General case' 0 N--CA 1.456 -0.128 0 CA-C-O 117.995 -1.002 . . . . 0.0 112.586 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -68.7 -51.35 42.56 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 106.143 -1.799 . . . . 0.0 106.143 178.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 68.5 mt -58.54 -49.32 82.77 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 C-N-CA 125.015 1.326 . . . . 0.0 108.768 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.2 3.59 1.16 Allowed 'General case' 0 C--O 1.235 0.298 0 C-N-CA 125.438 1.495 . . . . 0.0 114.233 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 51.89 44.99 28.98 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 122.93 1.347 . . . . 0.0 108.56 -178.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 8.8 m120 59.2 21.29 9.39 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 130.584 3.554 . . . . 0.0 113.436 -179.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -91.73 111.43 22.95 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 121.521 1.964 . . . . 0.0 110.431 179.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 22.0 t -53.85 -46.27 63.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 C-N-CA 124.372 1.069 . . . . 0.0 111.332 179.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -54.83 -36.29 64.85 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.878 0.871 . . . . 0.0 112.401 -177.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 41.5 t -84.37 -41.27 16.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 C-N-CA 123.406 0.682 . . . . 0.0 109.946 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.3 -33.32 63.17 Favored 'General case' 0 CA--C 1.531 0.233 0 O-C-N 121.734 -0.603 . . . . 0.0 112.41 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 35.9 mtp-105 -60.3 -44.99 94.91 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 118.654 -0.689 . . . . 0.0 109.624 179.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 51.3 m -70.5 -31.68 68.88 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 118.546 0.612 . . . . 0.0 110.539 179.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 62.1 mt -62.88 -54.93 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-N 119.571 1.078 . . . . 0.0 108.622 178.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 18.6 mt -60.77 -28.33 68.65 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 124.297 1.039 . . . . 0.0 110.767 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -67.5 -18.19 64.96 Favored 'General case' 0 N--CA 1.464 0.25 0 O-C-N 121.67 -0.644 . . . . 0.0 112.105 179.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -97.98 -37.67 9.69 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 178.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -67.39 -52.21 42.71 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.591 0.632 . . . . 0.0 109.742 178.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 41.9 t . . . . . 0 N--CA 1.452 -0.333 0 C-N-CA 124.842 1.257 . . . . 0.0 110.009 -179.388 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.6 p . . . . . 0 N--CA 1.47 0.564 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -62.86 -34.7 77.9 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 120.157 -1.59 . . . . 0.0 111.188 -179.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.6 -15.21 62.73 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.537 1.135 . . . . 0.0 111.543 178.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 41.9 mttp -94.56 -43.06 8.5 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 125.455 1.502 . . . . 0.0 109.183 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.0 mt -57.16 -58.18 6.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.2 -27.31 63.77 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.7 tttp -70.06 -57.29 5.14 Favored 'General case' 0 C--O 1.225 -0.22 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 179.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.07 -36.96 78.5 Favored 'General case' 0 C--O 1.224 -0.284 0 CA-C-O 118.179 -0.915 . . . . 0.0 111.483 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 83.3 mtp -56.59 -39.54 73.71 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 119.963 1.256 . . . . 0.0 108.394 178.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.25 -9.71 55.16 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 125.609 1.576 . . . . 0.0 113.948 179.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -89.6 0.33 57.01 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 118.913 1.356 . . . . 0.0 108.482 177.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.61 53.2 1.86 Allowed Glycine 0 C--N 1.34 0.79 0 C-N-CA 126.75 2.119 . . . . 0.0 112.935 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -137.11 158.46 44.39 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 118.126 0.963 . . . . 0.0 110.099 179.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.65 149.02 23.74 Favored 'General case' 0 C--N 1.338 0.096 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -50.06 -39.19 41.35 Favored 'General case' 0 C--O 1.224 -0.274 0 C-N-CA 124.516 1.127 . . . . 0.0 112.358 -179.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -59.93 -48.43 81.72 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 124.227 1.011 . . . . 0.0 112.205 -178.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -71.02 -38.54 72.62 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 125.362 1.465 . . . . 0.0 109.277 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 67.5 t -65.68 -46.02 90.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 124.57 1.148 . . . . 0.0 110.423 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -58.99 -40.62 85.4 Favored 'General case' 0 CA--C 1.515 -0.379 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 27.3 tpt180 -66.85 -43.42 83.69 Favored 'General case' 0 N--CA 1.449 -0.493 0 O-C-N 124.195 0.934 . . . . 0.0 109.528 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.05 -49.87 75.97 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 123.298 0.639 . . . . 0.0 109.588 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -66.27 -26.75 67.49 Favored 'General case' 0 C--N 1.34 0.178 0 CA-C-O 117.838 -1.077 . . . . 0.0 111.161 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -69.13 -58.44 4.07 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 120.163 1.347 . . . . 0.0 107.611 178.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 65.4 mt -56.41 -44.89 81.3 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 124.67 1.188 . . . . 0.0 109.234 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.47 7.94 1.24 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.622 1.569 . . . . 0.0 114.553 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 51.43 44.37 29.01 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 120.827 1.649 . . . . 0.0 109.895 -178.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.3 m120 59.74 32.14 21.23 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 127.852 2.461 . . . . 0.0 112.709 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -102.94 115.56 30.84 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 120.209 1.368 . . . . 0.0 109.931 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.4 t -57.13 -45.2 84.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 C-N-CA 125.298 1.439 . . . . 0.0 111.877 179.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -56.34 -45.06 80.58 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 125.11 1.364 . . . . 0.0 111.757 -178.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 47.2 t -77.1 -42.17 31.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 C-N-CA 123.584 0.754 . . . . 0.0 110.263 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.57 -38.01 52.36 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.784 0.834 . . . . 0.0 112.033 -179.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -56.08 -51.0 69.44 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 118.311 0.505 . . . . 0.0 110.773 178.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.5 m -62.92 -29.24 70.63 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.198 0.999 . . . . 0.0 112.305 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 44.5 mt -68.78 -52.02 39.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 N-CA-C 107.826 -1.175 . . . . 0.0 107.826 179.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.9 mt -62.29 -34.71 77.11 Favored 'General case' 0 CA--C 1.521 -0.155 0 C-N-CA 123.904 0.882 . . . . 0.0 109.735 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 -65.61 -30.01 70.67 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 118.164 0.438 . . . . 0.0 110.119 178.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -77.47 -46.3 22.94 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 118.923 0.783 . . . . 0.0 108.947 178.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 . . . . . 0 CA--C 1.534 0.34 0 CA-C-O 118.877 -0.583 . . . . 0.0 112.361 -179.586 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 8.9 p . . . . . 0 N--CA 1.465 0.299 0 CA-C-O 118.692 -0.671 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.26 -43.02 96.52 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 120.046 1.294 . . . . 0.0 108.648 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.79 -18.39 65.04 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.663 0.785 . . . . 0.0 112.747 178.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -88.44 -44.63 10.59 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 107.089 -1.449 . . . . 0.0 107.089 178.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 60.3 mt -56.57 -51.99 58.89 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 N-CA-C 106.576 -1.639 . . . . 0.0 106.576 178.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.31 -17.08 40.34 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 179.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 42.7 tttp -82.03 -58.79 2.81 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 178.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.13 -36.02 76.56 Favored 'General case' 0 C--N 1.342 0.282 0 CA-C-N 119.448 1.022 . . . . 0.0 111.813 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 95.5 mtp -61.88 -26.05 67.92 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.075 0.852 . . . . 0.0 109.563 178.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.31 -20.92 79.52 Favored Glycine 0 C--N 1.336 0.531 0 C-N-CA 125.583 1.563 . . . . 0.0 111.403 178.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -72.27 -26.78 62.12 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.476 1.138 . . . . 0.0 108.598 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.21 -7.38 6.74 Favored Glycine 0 CA--C 1.53 0.993 0 CA-C-O 118.254 -1.304 . . . . 0.0 115.548 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -76.15 163.76 26.77 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 119.6 1.7 . . . . 0.0 112.872 -178.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.65 158.92 25.49 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.509 1.523 . . . . 0.0 110.388 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -56.87 -46.16 82.0 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.537 1.135 . . . . 0.0 113.458 -178.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -61.99 -46.74 87.92 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 118.827 0.74 . . . . 0.0 111.782 -178.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -56.91 -46.62 81.84 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 125.933 1.693 . . . . 0.0 110.511 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 75.8 t -64.88 -52.26 56.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 C-N-CA 123.859 0.863 . . . . 0.0 110.7 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 4.3 mtpt -56.87 -36.78 70.46 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.35 -179.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -65.19 -49.4 69.9 Favored 'General case' 0 C--N 1.338 0.086 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.2 -43.83 83.11 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.229 0.612 . . . . 0.0 111.606 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.74 -37.78 87.32 Favored 'General case' 0 C--N 1.342 0.244 0 CA-C-O 117.673 -1.156 . . . . 0.0 111.301 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -61.12 -52.19 65.93 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 119.666 1.121 . . . . 0.0 109.016 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 70.0 mt -60.34 -50.35 80.63 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.99 4.37 0.67 Allowed 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 116.043 1.868 . . . . 0.0 116.043 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 55.6 46.42 22.86 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 120.317 1.417 . . . . 0.0 108.935 -177.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 49.88 62.4 2.67 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 128.018 2.527 . . . . 0.0 110.96 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -132.03 123.84 28.08 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 124.892 1.277 . . . . 0.0 109.23 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 52.9 t -67.4 -44.06 87.24 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.067 0 CA-C-N 118.274 0.488 . . . . 0.0 111.811 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -53.21 -56.3 17.51 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.351 1.061 . . . . 0.0 109.083 -178.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 43.8 t -68.43 -42.24 83.85 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 CA-C-O 118.941 -0.552 . . . . 0.0 111.066 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.91 -32.05 65.54 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 119.579 1.081 . . . . 0.0 111.411 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 48.8 ttm-85 -60.73 -50.78 72.11 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 178.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 3.5 m -61.1 -34.94 75.75 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 118.459 -0.782 . . . . 0.0 111.404 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 63.0 mt -66.18 -51.9 54.1 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 26.6 mt -60.02 -31.28 69.8 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 121.861 -0.525 . . . . 0.0 109.893 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -71.98 -12.53 61.28 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 117.987 -1.006 . . . . 0.0 112.28 179.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -93.24 -56.32 2.99 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 178.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -63.08 -53.0 60.48 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 122.963 0.505 . . . . 0.0 110.881 -178.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 9.5 t . . . . . 0 C--O 1.238 0.461 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 179.491 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 CA--C 1.538 0.501 0 N-CA-C 111.488 0.181 . . . . 0.0 111.488 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.03 -52.87 38.72 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 125.141 1.376 . . . . 0.0 111.253 -179.259 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.69 -33.21 69.9 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.951 0.9 . . . . 0.0 111.698 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 54.4 mttp -68.88 -45.45 70.95 Favored 'General case' 0 C--O 1.227 -0.099 0 N-CA-C 108.517 -0.919 . . . . 0.0 108.517 179.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 81.7 mt -60.63 -51.09 77.09 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 N-CA-C 107.259 -1.385 . . . . 0.0 107.259 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.74 -37.71 66.24 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 119.339 -0.363 . . . . 0.0 111.15 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -61.58 -56.87 15.18 Favored 'General case' 0 C--N 1.34 0.182 0 CA-C-O 118.485 -0.769 . . . . 0.0 110.222 179.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -58.27 -39.74 80.05 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.949 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 97.6 mtp -56.98 -36.87 70.85 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 119.914 1.234 . . . . 0.0 109.652 178.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.37 -11.49 52.78 Favored Glycine 0 CA--C 1.527 0.785 0 CA-C-O 118.62 -1.1 . . . . 0.0 112.824 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -95.18 -2.3 50.03 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.25 1.42 . . . . 0.0 109.577 178.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.0 68.66 1.14 Allowed Glycine 0 C--N 1.336 0.554 0 C-N-CA 126.182 1.849 . . . . 0.0 114.892 178.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -149.83 153.26 36.48 Favored 'General case' 0 C--O 1.239 0.544 0 C-N-CA 125.192 1.397 . . . . 0.0 107.93 178.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.11 148.99 39.24 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 122.312 0.245 . . . . 0.0 110.341 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -53.25 -38.46 63.01 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.058 0.943 . . . . 0.0 111.651 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -62.75 -53.21 57.79 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.779 1.632 . . . . 0.0 110.579 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -57.04 -48.39 78.63 Favored 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 125.68 1.592 . . . . 0.0 108.914 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 99.5 t -61.14 -47.14 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 C-N-CA 124.858 1.263 . . . . 0.0 110.087 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -56.64 -43.74 80.57 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -64.7 -50.55 66.52 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 119.447 -0.901 . . . . 0.0 109.261 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.25 -44.58 79.8 Favored 'General case' 0 N--CA 1.446 -0.635 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -65.06 -38.52 91.07 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 119.594 1.088 . . . . 0.0 109.842 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -62.34 -53.74 50.64 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 119.02 0.827 . . . . 0.0 109.386 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 64.6 mt -56.84 -44.75 82.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.39 4.67 1.63 Allowed 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.851 1.66 . . . . 0.0 113.735 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 50.49 47.64 23.76 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 123.157 1.456 . . . . 0.0 109.014 -177.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 52.42 54.68 10.27 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 130.993 3.717 . . . . 0.0 113.694 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -129.28 112.32 13.76 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 178.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.8 t -46.78 -49.53 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 C-N-CA 126.374 1.87 . . . . 0.0 112.025 -179.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -52.26 -40.15 61.35 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 124.826 1.25 . . . . 0.0 113.445 -178.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 42.6 t -86.94 -36.07 9.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 C-N-CA 123.771 0.828 . . . . 0.0 110.425 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.56 -35.37 70.26 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 118.686 0.676 . . . . 0.0 109.223 178.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 64.6 mtt180 -58.32 -53.7 55.38 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.414 1.086 . . . . 0.0 109.12 178.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.0 m -56.71 -43.87 81.0 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.551 1.54 . . . . 0.0 110.434 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 66.0 mt -62.31 -50.05 81.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 C-N-CA 124.229 1.012 . . . . 0.0 109.105 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 33.8 mt -62.15 -28.37 69.6 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.881 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.9 mmt85 -65.17 -41.79 94.3 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 119.803 1.183 . . . . 0.0 109.873 179.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -70.61 -39.32 73.84 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.431 0.559 . . . . 0.0 109.777 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 . . . . . 0 CA--C 1.532 0.263 0 CA-C-N 118.978 0.808 . . . . 0.0 111.897 -179.648 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 9.1 p . . . . . 0 CA--C 1.537 0.444 0 N-CA-C 110.47 -0.196 . . . . 0.0 110.47 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -58.34 -34.47 70.67 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 124.877 1.271 . . . . 0.0 110.607 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.69 -45.28 62.38 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 43.8 mttp -63.04 -39.43 94.72 Favored 'General case' 0 C--O 1.225 -0.225 0 C-N-CA 124.375 1.07 . . . . 0.0 109.939 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 38.0 mt -63.02 -58.12 9.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 N-CA-C 106.535 -1.654 . . . . 0.0 106.535 178.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.06 -34.42 60.02 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 111.573 0.212 . . . . 0.0 111.573 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 18.2 tptt -59.22 -62.58 1.77 Allowed 'General case' 0 C--N 1.339 0.141 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 178.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -57.83 -40.21 79.48 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-O 118.64 -0.695 . . . . 0.0 111.175 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 91.4 mtp -59.79 -33.92 72.35 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 119.783 1.174 . . . . 0.0 110.018 178.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.8 -23.59 67.47 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 178.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -80.36 -1.5 41.45 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.01 1.324 . . . . 0.0 111.311 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.12 53.63 1.86 Allowed Glycine 0 C--N 1.339 0.711 0 CA-C-O 118.041 -1.422 . . . . 0.0 116.276 177.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -134.63 153.42 51.99 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-N 117.99 0.895 . . . . 0.0 110.954 178.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.06 151.86 45.03 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 125.126 1.37 . . . . 0.0 110.201 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -57.92 -41.02 81.8 Favored 'General case' 0 C--N 1.333 -0.15 0 O-C-N 121.562 -0.711 . . . . 0.0 111.8 -179.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -60.74 -48.79 80.22 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 123.339 0.656 . . . . 0.0 110.802 -178.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -63.14 -48.31 79.01 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 125.308 1.443 . . . . 0.0 110.438 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 96.3 t -60.69 -48.02 90.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 O-C-N 120.941 -1.1 . . . . 0.0 111.61 -179.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -59.09 -38.99 80.8 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -63.03 -54.61 35.49 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.47 -46.87 76.8 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 124.622 1.169 . . . . 0.0 112.571 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.31 -37.69 87.91 Favored 'General case' 0 C--N 1.342 0.282 0 CA-C-O 117.644 -1.169 . . . . 0.0 110.932 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -61.39 -55.1 35.24 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 119.932 1.242 . . . . 0.0 109.625 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 77.2 mt -54.36 -48.32 68.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 C-N-CA 125.218 1.407 . . . . 0.0 108.602 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.13 11.38 0.32 Allowed 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 126.471 1.909 . . . . 0.0 115.535 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 50.39 44.84 26.72 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 121.257 1.844 . . . . 0.0 108.955 -177.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 49.17 53.59 12.36 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 128.024 2.53 . . . . 0.0 111.128 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 64.7 t-20 -121.11 114.75 21.9 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 28.7 t -55.14 -46.01 77.45 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 C-N-CA 124.627 1.171 . . . . 0.0 111.011 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -59.46 -38.49 80.91 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 125.534 1.533 . . . . 0.0 111.863 -177.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 80.1 t -83.44 -40.43 16.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 179.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.72 -34.09 67.15 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 118.898 0.772 . . . . 0.0 109.719 179.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 -58.5 -50.1 74.99 Favored 'General case' 0 C--N 1.339 0.151 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 178.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 69.6 m -61.33 -42.22 98.32 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.744 0.818 . . . . 0.0 111.215 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 72.9 mt -59.75 -50.36 80.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 13.4 mt -63.24 -27.25 69.22 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.919 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 20.7 mmt85 -65.86 -38.36 88.63 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 120.448 1.476 . . . . 0.0 109.89 178.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -68.22 -49.64 59.38 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 118.502 0.592 . . . . 0.0 110.042 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -63.69 -51.81 63.4 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.913 0.885 . . . . 0.0 111.079 -179.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 40.9 t . . . . . 0 C--O 1.239 0.519 0 C-N-CA 125.662 1.585 . . . . 0.0 108.19 179.084 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.5 t . . . . . 0 CA--C 1.529 0.169 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -59.21 -44.9 92.27 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 123.605 0.762 . . . . 0.0 110.054 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.3 -16.63 63.78 Favored 'General case' 0 CA--C 1.527 0.085 0 C-N-CA 123.742 0.817 . . . . 0.0 112.096 179.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 47.7 mttp -93.34 -43.5 8.75 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.579 1.151 . . . . 0.0 108.202 179.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 63.5 mt -60.52 -53.67 45.73 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 178.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.21 -13.86 14.61 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.016 0.926 . . . . 0.0 112.244 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.9 tptm -77.47 -63.54 1.35 Allowed 'General case' 0 C--O 1.234 0.253 0 N-CA-C 107.386 -1.339 . . . . 0.0 107.386 178.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.67 -35.06 73.69 Favored 'General case' 0 CA--C 1.516 -0.35 0 C-N-CA 125.272 1.429 . . . . 0.0 111.77 -179.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 89.4 mtp -59.93 -18.86 48.3 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 118.668 0.667 . . . . 0.0 110.997 178.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.13 -26.95 65.15 Favored Glycine 0 CA--C 1.528 0.902 0 O-C-N 120.926 -1.109 . . . . 0.0 111.363 178.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -76.34 -11.01 59.83 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.914 1.286 . . . . 0.0 112.518 -179.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 117.08 -19.44 11.91 Favored Glycine 0 CA--C 1.526 0.732 0 C-N-CA 125.223 1.392 . . . . 0.0 114.833 178.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -62.64 146.87 51.02 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 118.538 1.169 . . . . 0.0 110.789 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.83 158.19 31.0 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 124.866 1.267 . . . . 0.0 111.229 -178.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -54.71 -45.29 74.0 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 113.134 0.791 . . . . 0.0 113.134 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -61.21 -49.18 78.2 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 112.805 0.668 . . . . 0.0 112.805 -178.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -58.93 -47.01 86.58 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 125.853 1.661 . . . . 0.0 109.237 -179.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 73.3 t -66.58 -52.13 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 124.592 1.157 . . . . 0.0 111.694 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.2 ttpt -54.88 -39.75 69.03 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.9 tpt180 -68.69 -45.64 71.12 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.47 -42.1 91.26 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.204 0.602 . . . . 0.0 111.929 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.55 -36.49 83.96 Favored 'General case' 0 C--N 1.342 0.247 0 CA-C-O 117.254 -1.355 . . . . 0.0 110.981 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -61.56 -53.31 57.98 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 120.616 1.553 . . . . 0.0 109.096 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 61.0 mt -56.94 -43.77 81.25 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 C-N-CA 125.083 1.353 . . . . 0.0 108.337 -179.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.22 6.6 3.4 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 127.611 2.364 . . . . 0.0 114.274 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 55.55 41.92 30.22 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 120.065 1.302 . . . . 0.0 110.047 -178.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.3 t30 51.42 62.85 2.5 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 128.214 2.606 . . . . 0.0 110.95 -179.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -139.58 113.04 8.37 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 124.849 1.26 . . . . 0.0 110.193 178.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.8 t -56.78 -42.24 77.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 C-N-CA 124.754 1.222 . . . . 0.0 110.159 179.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -55.16 -28.27 51.59 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 125.466 1.506 . . . . 0.0 111.518 -178.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 37.0 t -99.86 -41.44 9.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 CA-C-O 118.637 -0.697 . . . . 0.0 109.536 178.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.52 -31.69 36.72 Favored 'General case' 0 C--N 1.342 0.282 0 C-N-CA 123.637 0.775 . . . . 0.0 111.242 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 55.4 mtt180 -57.01 -53.9 52.78 Favored 'General case' 0 C--N 1.341 0.199 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 177.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.5 m -60.1 -34.71 73.85 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.048 0.539 . . . . 0.0 111.889 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 79.5 mt -67.54 -52.7 38.49 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 C-N-CA 123.904 0.882 . . . . 0.0 108.949 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.1 mt -61.32 -30.12 70.3 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.36 0.664 . . . . 0.0 110.14 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 57.9 mtp85 -65.44 -20.0 66.18 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.253 0.621 . . . . 0.0 110.911 178.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -99.32 -47.36 5.19 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 119.398 0.999 . . . . 0.0 108.514 177.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 . . . . . 0 C--N 1.343 0.308 0 CA-C-O 118.168 -0.92 . . . . 0.0 112.889 -179.495 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 48.3 t . . . . . 0 N--CA 1.465 0.285 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -60.77 -25.94 66.88 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 121.276 -0.89 . . . . 0.0 111.147 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.57 -19.28 63.54 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 118.56 0.618 . . . . 0.0 110.755 178.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 30.6 mttp -89.36 -41.83 11.9 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 125.657 1.583 . . . . 0.0 107.558 178.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 73.3 mt -59.44 -52.84 56.22 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.03 -28.65 64.67 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 13.5 tptm -64.74 -65.02 0.73 Allowed 'General case' 0 C--O 1.234 0.239 0 N-CA-C 107.778 -1.194 . . . . 0.0 107.778 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.6 -37.98 83.16 Favored 'General case' 0 C--O 1.225 -0.218 0 C-N-CA 124.302 1.041 . . . . 0.0 111.952 -179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 81.0 mtp -58.09 -28.21 64.39 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 120.157 1.344 . . . . 0.0 110.176 179.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.26 -14.02 82.28 Favored Glycine 0 CA--C 1.526 0.726 0 O-C-N 121.276 -0.89 . . . . 0.0 112.153 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -80.64 -15.22 57.12 Favored 'General case' 0 C--O 1.228 -0.037 0 CA-C-N 118.749 1.275 . . . . 0.0 111.377 178.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.95 52.4 0.74 Allowed Glycine 0 CA--C 1.522 0.521 0 C-N-CA 124.698 1.142 . . . . 0.0 112.86 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -136.58 144.78 44.32 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 178.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.75 155.95 39.2 Favored 'General case' 0 C--O 1.233 0.2 0 O-C-N 123.776 0.672 . . . . 0.0 110.651 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -55.85 -42.52 75.94 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 121.961 -0.462 . . . . 0.0 110.95 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -66.01 -21.72 66.41 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.75 0.82 . . . . 0.0 113.073 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -87.85 -43.19 12.01 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 123.846 0.859 . . . . 0.0 108.712 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 81.6 t -69.52 -55.79 13.9 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 C-N-CA 125.392 1.477 . . . . 0.0 112.433 -178.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 17.1 ttpt -56.69 -37.55 71.04 Favored 'General case' 0 CA--C 1.523 -0.096 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 -65.53 -46.18 80.6 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.8 -45.79 81.99 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 122.677 0.391 . . . . 0.0 110.368 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.43 -41.02 98.41 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-O 117.972 -1.014 . . . . 0.0 109.651 179.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -53.94 -54.51 37.91 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.885 1.274 . . . . 0.0 110.248 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 80.2 mt -63.7 -49.55 81.73 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 C-N-CA 126.112 1.765 . . . . 0.0 110.241 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.85 6.87 0.44 Allowed 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 125.746 1.618 . . . . 0.0 114.701 -179.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 57.48 50.16 11.66 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.334 1.054 . . . . 0.0 108.376 -178.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 54.9 t30 48.54 50.99 16.17 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 128.009 2.524 . . . . 0.0 113.393 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 64.9 t-20 -127.71 118.34 23.62 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 120.723 -1.235 . . . . 0.0 109.543 179.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 24.1 t -60.78 -41.17 87.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 C-N-CA 125.91 1.684 . . . . 0.0 111.933 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -63.76 -25.55 68.24 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 124.273 1.029 . . . . 0.0 111.896 -178.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 64.6 t -99.19 -39.41 7.8 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 124.443 1.097 . . . . 0.0 109.958 -178.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.93 -30.02 68.77 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.069 0.948 . . . . 0.0 111.136 179.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -56.23 -48.76 75.85 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 178.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 29.7 m -61.55 -32.75 72.84 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 76.5 mt -67.6 -51.88 46.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 19.1 mt -59.65 -37.0 77.51 Favored 'General case' 0 C--O 1.226 -0.159 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 45.4 mtp85 -65.59 -25.1 67.25 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 118.983 -0.532 . . . . 0.0 111.138 178.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -91.32 -39.94 11.76 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 118.098 -0.953 . . . . 0.0 112.115 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -76.14 -52.42 10.14 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 119.242 0.928 . . . . 0.0 109.212 178.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.445 -0.703 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 74.7 t . . . . . 0 CA--C 1.533 0.306 0 N-CA-C 105.555 -2.017 . . . . 0.0 105.555 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -57.96 -44.75 87.2 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.095 1.358 . . . . 0.0 111.447 179.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.4 -16.56 63.74 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.839 -0.538 . . . . 0.0 110.874 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 27.7 mttp -90.41 -34.22 15.72 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 117.84 -1.076 . . . . 0.0 108.474 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 45.1 mt -57.59 -57.24 11.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 177.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.05 -35.61 64.67 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.639 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.1 tptm -63.11 -58.33 7.6 Favored 'General case' 0 C--O 1.226 -0.14 0 C-N-CA 123.727 0.811 . . . . 0.0 110.118 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.04 -36.65 84.68 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-O 118.105 -0.95 . . . . 0.0 111.87 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 92.1 mtp -56.17 -37.62 69.81 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 119.68 1.127 . . . . 0.0 109.797 179.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.2 -17.64 59.46 Favored Glycine 0 C--N 1.34 0.788 0 C-N-CA 124.773 1.178 . . . . 0.0 113.787 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -79.22 -18.23 53.29 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.984 1.392 . . . . 0.0 110.086 179.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.03 59.26 0.66 Allowed Glycine 0 CA--C 1.527 0.797 0 C-N-CA 125.034 1.302 . . . . 0.0 111.948 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -137.33 159.38 42.09 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 125.296 1.438 . . . . 0.0 108.105 178.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.75 148.78 26.86 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.441 0.564 . . . . 0.0 109.601 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -51.31 -42.52 61.25 Favored 'General case' 0 C--O 1.231 0.089 0 C-N-CA 125.154 1.381 . . . . 0.0 112.389 -179.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -61.62 -31.74 71.84 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -178.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -84.59 -36.85 21.77 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 124.286 1.035 . . . . 0.0 110.095 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 44.7 t -62.7 -46.48 96.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 C-N-CA 124.803 1.241 . . . . 0.0 108.953 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -58.85 -39.6 81.76 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -63.61 -50.49 69.18 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.54 -48.51 74.59 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.534 0.733 . . . . 0.0 112.873 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.96 -41.53 97.55 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 118.519 -0.753 . . . . 0.0 112.759 -178.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -60.09 -52.0 67.22 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 118.834 0.743 . . . . 0.0 109.483 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 88.2 mt -60.51 -52.25 63.59 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 C-N-CA 125.148 1.379 . . . . 0.0 111.257 -179.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.01 8.74 1.43 Allowed 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 115.246 1.573 . . . . 0.0 115.246 -178.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 55.79 57.27 5.34 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 122.859 1.314 . . . . 0.0 110.656 -179.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 40.54 55.26 2.92 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 130.819 3.647 . . . . 0.0 114.753 179.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 56.9 t-20 -126.11 110.78 13.9 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 127.037 2.135 . . . . 0.0 108.252 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 38.1 t -52.08 -42.84 36.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 C-N-CA 125.328 1.451 . . . . 0.0 111.942 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -56.42 -52.11 65.87 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.73 1.212 . . . . 0.0 112.181 -178.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.7 t -71.87 -39.99 68.17 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 C-N-CA 124.479 1.112 . . . . 0.0 109.847 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.55 -36.54 69.4 Favored 'General case' 0 CA--C 1.53 0.203 0 O-C-N 121.481 -0.762 . . . . 0.0 111.482 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.6 mtm180 -61.83 -46.09 91.01 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 178.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 75.0 m -59.59 -34.38 72.66 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 118.91 0.777 . . . . 0.0 111.364 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 58.3 mt -63.92 -50.64 76.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.8 mt -62.15 -24.77 67.37 Favored 'General case' 0 CA--C 1.527 0.085 0 C-N-CA 124.237 1.015 . . . . 0.0 111.333 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 23.0 mmt85 -64.1 -38.56 91.5 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 120.006 1.275 . . . . 0.0 110.529 178.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -76.82 -39.55 50.93 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 . . . . . 0 C--O 1.226 -0.141 0 CA-C-N 118.381 0.537 . . . . 0.0 111.94 -179.585 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 48.7 t . . . . . 0 CA--C 1.529 0.169 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -57.76 -49.36 76.85 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 124.568 1.147 . . . . 0.0 110.854 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.41 -18.33 64.61 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 121.947 -0.471 . . . . 0.0 111.575 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -84.18 -42.07 16.35 Favored 'General case' 0 CA--C 1.518 -0.267 0 C-N-CA 123.657 0.783 . . . . 0.0 109.531 179.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 49.7 mt -59.09 -54.7 30.59 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.24 -35.16 25.64 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 36.1 tttt -62.01 -56.17 21.82 Favored 'General case' 0 CA--C 1.527 0.058 0 C-N-CA 125.611 1.564 . . . . 0.0 111.233 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -67.08 -36.89 82.97 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-N 118.744 0.702 . . . . 0.0 109.665 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 99.3 mtp -59.19 -33.18 70.65 Favored 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.08 -27.29 62.27 Favored Glycine 0 CA--C 1.526 0.723 0 CA-C-O 118.833 -0.982 . . . . 0.0 112.803 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -71.87 -21.36 61.67 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 118.697 1.248 . . . . 0.0 110.595 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.81 -8.41 6.45 Favored Glycine 0 CA--C 1.527 0.818 0 CA-C-O 117.911 -1.494 . . . . 0.0 114.245 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -69.28 163.68 24.5 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 119.143 1.471 . . . . 0.0 111.988 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.51 155.53 19.6 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.556 1.543 . . . . 0.0 109.94 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -56.47 -46.69 80.29 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 124.586 1.154 . . . . 0.0 113.651 -179.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -56.8 -45.78 81.99 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 112.516 0.561 . . . . 0.0 112.516 -177.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -63.05 -49.21 75.46 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 126.279 1.832 . . . . 0.0 110.588 -178.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 75.2 t -65.32 -50.85 70.9 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 C-N-CA 124.263 1.025 . . . . 0.0 111.416 -179.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.3 ttpt -55.22 -39.53 69.78 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -67.79 -50.29 57.74 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.41 -43.18 75.05 Favored 'General case' 0 N--CA 1.457 -0.088 0 C-N-CA 124.444 1.097 . . . . 0.0 112.265 -179.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.83 -33.04 73.44 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 117.234 -1.365 . . . . 0.0 110.476 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -69.81 -50.82 39.2 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 120.807 1.64 . . . . 0.0 109.593 179.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 65.4 mt -55.57 -39.39 54.05 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 C-N-CA 123.845 0.858 . . . . 0.0 109.6 -179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.17 3.56 14.86 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 127.541 2.337 . . . . 0.0 113.871 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 54.96 55.74 7.41 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.757 1.223 . . . . 0.0 108.096 -177.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 29.6 m120 44.51 54.9 6.11 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 130.711 3.605 . . . . 0.0 111.031 -179.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 56.7 t-20 -127.7 121.19 29.73 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 123.869 0.868 . . . . 0.0 110.467 -179.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 23.9 t -65.09 -44.32 95.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 124.242 1.017 . . . . 0.0 111.398 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -56.63 -42.14 78.34 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 123.955 0.902 . . . . 0.0 110.312 -178.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 61.4 t -80.3 -40.08 19.6 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 122.638 0.375 . . . . 0.0 111.345 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.73 -30.1 55.27 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 119.167 0.894 . . . . 0.0 111.332 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 42.7 mtt-85 -53.03 -59.43 4.55 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.229 1.011 . . . . 0.0 109.727 178.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 3.5 m -60.39 -32.82 71.68 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.135 0.974 . . . . 0.0 112.892 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 66.8 mt -66.89 -53.53 33.53 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-N 119.256 0.935 . . . . 0.0 108.595 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 19.8 mt -58.68 -32.1 68.82 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 122.719 0.408 . . . . 0.0 110.506 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -66.24 -20.34 66.09 Favored 'General case' 0 C--N 1.339 0.149 0 CA-C-O 118.009 -0.996 . . . . 0.0 111.603 179.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -92.07 -45.43 8.3 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 120.447 1.476 . . . . 0.0 110.426 178.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -68.18 -30.14 69.17 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 123.688 0.617 . . . . 0.0 112.149 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 32.7 t . . . . . 0 N--CA 1.453 -0.3 0 C-N-CA 123.989 0.916 . . . . 0.0 110.998 -179.758 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.225 -0.235 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -57.27 -46.63 82.91 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 118.719 0.69 . . . . 0.0 111.248 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.13 -16.27 51.4 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 118.892 0.769 . . . . 0.0 112.778 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.5 mttt -91.36 -43.46 9.75 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 107.599 -1.259 . . . . 0.0 107.599 179.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 52.5 mt -59.14 -51.75 68.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 N-CA-C 106.901 -1.518 . . . . 0.0 106.901 178.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.66 -44.72 66.38 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 178.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.6 tttp -58.47 -57.63 12.08 Favored 'General case' 0 C--N 1.34 0.156 0 CA-C-O 118.03 -0.986 . . . . 0.0 111.223 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -58.87 -38.63 79.24 Favored 'General case' 0 C--N 1.343 0.286 0 CA-C-N 119.657 1.117 . . . . 0.0 110.898 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 80.1 mtp -58.09 -33.45 69.11 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 119.34 0.973 . . . . 0.0 109.412 179.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.19 -16.39 73.07 Favored Glycine 0 CA--C 1.533 1.164 0 C-N-CA 125.148 1.356 . . . . 0.0 112.502 178.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -79.72 -20.09 47.27 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 119.25 1.525 . . . . 0.0 109.166 178.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.88 55.68 0.44 Allowed Glycine 0 C--N 1.337 0.629 0 C-N-CA 125.576 1.56 . . . . 0.0 112.106 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -139.49 150.57 45.31 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 118.391 1.095 . . . . 0.0 108.068 178.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.37 155.92 24.48 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 121.616 0.722 . . . . 0.0 111.0 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -55.86 -39.12 71.04 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.922 1.289 . . . . 0.0 113.331 -179.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -67.97 -20.16 65.02 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 122.953 0.501 . . . . 0.0 112.099 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -91.78 -46.49 7.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 122.573 1.178 . . . . 0.0 109.074 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 89.0 t -65.08 -53.34 42.24 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 C-N-CA 125.676 1.591 . . . . 0.0 113.321 -177.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -55.58 -38.14 68.99 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 118.217 0.462 . . . . 0.0 110.106 -179.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.8 tpt180 -62.87 -50.7 69.86 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 179.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.62 -41.19 85.36 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.077 0.399 . . . . 0.0 111.728 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -67.21 -32.6 73.76 Favored 'General case' 0 C--N 1.341 0.225 0 O-C-N 121.023 -1.048 . . . . 0.0 110.99 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -65.05 -52.92 53.03 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 178.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 66.8 mt -58.28 -51.58 69.47 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 124.527 1.131 . . . . 0.0 109.586 -179.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.77 6.22 0.52 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.519 1.928 . . . . 0.0 115.61 -179.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 54.82 31.38 15.5 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 120.332 1.424 . . . . 0.0 109.996 -177.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.2 m120 71.65 22.33 4.08 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 130.733 3.613 . . . . 0.0 115.911 179.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 -92.08 118.6 30.97 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 120.446 1.476 . . . . 0.0 107.692 178.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 25.6 t -61.82 -42.88 96.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 O-C-N 121.194 -0.941 . . . . 0.0 111.149 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -53.08 -39.56 63.41 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 123.955 0.902 . . . . 0.0 110.947 -177.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.7 t -80.59 -45.51 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.575 0 C-N-CA 126.832 2.053 . . . . 0.0 110.43 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.4 -28.82 60.44 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.568 0.747 . . . . 0.0 111.934 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -59.68 -50.02 75.46 Favored 'General case' 0 C--O 1.227 -0.11 0 CA-C-O 118.955 -0.545 . . . . 0.0 110.06 178.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.2 m -56.67 -41.77 77.83 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.373 0.669 . . . . 0.0 111.868 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 69.2 mt -57.33 -56.97 12.01 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 N-CA-C 108.05 -1.092 . . . . 0.0 108.05 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 40.0 mt -59.34 -32.67 70.31 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 118.43 -0.795 . . . . 0.0 111.854 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 32.1 mtm180 -68.08 -28.35 67.28 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 119.556 1.071 . . . . 0.0 112.255 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -94.99 -29.35 14.67 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 118.954 0.797 . . . . 0.0 111.736 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 . . . . . 0 CA--C 1.535 0.397 0 N-CA-C 105.194 -2.15 . . . . 0.0 105.194 176.806 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 8.8 t . . . . . 0 N--CA 1.465 0.306 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -60.83 -47.69 85.21 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 123.943 0.897 . . . . 0.0 112.717 -179.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.36 -20.12 58.22 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.425 0.69 . . . . 0.0 111.527 179.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 48.7 mttp -89.36 -44.27 10.33 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 44.4 mt -54.55 -53.2 33.3 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.084 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.24 -21.9 64.31 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 179.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 38.8 tttp -77.41 -54.65 6.19 Favored 'General case' 0 C--N 1.34 0.195 0 O-C-N 120.645 -1.285 . . . . 0.0 108.522 178.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -63.14 -40.41 97.49 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 119.648 1.113 . . . . 0.0 109.531 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 92.2 mtp -62.87 -30.03 71.21 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 178.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.65 -34.23 85.45 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 109.748 -1.341 . . . . 0.0 109.748 179.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -66.17 -49.24 68.05 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 105.122 -2.177 . . . . 0.0 105.122 177.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 151.98 -7.12 0.55 Allowed Glycine 0 C--N 1.343 0.931 0 CA-C-O 117.287 -1.84 . . . . 0.0 117.434 178.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -68.86 150.16 48.1 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 120.704 2.252 . . . . 0.0 112.157 -178.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.75 155.97 39.73 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 125.345 1.458 . . . . 0.0 112.506 -179.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -56.91 -41.29 77.87 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.004 0.521 . . . . 0.0 112.049 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.8 -31.47 71.69 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 123.852 0.861 . . . . 0.0 111.853 -179.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -84.45 -45.47 12.65 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 123.698 0.799 . . . . 0.0 111.311 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 80.3 t -60.51 -61.03 1.72 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 C-N-CA 125.621 1.568 . . . . 0.0 112.933 -177.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 12.2 tttt -56.16 -35.45 67.19 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 118.762 0.71 . . . . 0.0 111.093 -178.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -64.25 -53.11 54.25 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 106.91 -1.515 . . . . 0.0 106.91 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.18 -43.11 82.3 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.122 0.569 . . . . 0.0 111.143 179.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.27 -28.03 68.4 Favored 'General case' 0 N--CA 1.464 0.238 0 O-C-N 121.316 -0.865 . . . . 0.0 111.519 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -71.48 -55.47 7.82 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 107.394 -1.335 . . . . 0.0 107.394 178.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 28.1 mt -54.06 -46.77 66.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 C-N-CA 125.971 1.708 . . . . 0.0 110.04 -179.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.35 7.03 2.48 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.559 1.944 . . . . 0.0 115.289 -179.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 51.74 40.35 27.36 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 120.928 1.695 . . . . 0.0 108.165 -176.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 7.3 m120 66.59 9.31 6.5 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 129.559 3.143 . . . . 0.0 114.545 -179.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -76.93 117.24 18.32 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 121.822 2.101 . . . . 0.0 111.041 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 52.0 t -58.53 -42.81 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 C-N-CA 124.695 1.198 . . . . 0.0 111.453 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -65.21 -26.51 68.16 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -177.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 86.9 t -86.24 -44.16 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 N-CA-C 106.614 -1.624 . . . . 0.0 106.614 178.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.12 -35.89 49.57 Favored 'General case' 0 C--N 1.343 0.318 0 C-N-CA 123.971 0.908 . . . . 0.0 110.81 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 30.9 mtt85 -55.58 -53.16 59.9 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 118.655 0.661 . . . . 0.0 110.084 178.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 11.9 m -57.27 -29.1 63.57 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 125.068 1.347 . . . . 0.0 113.484 -179.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 71.8 mt -76.25 -51.85 18.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 C-N-CA 124.782 1.233 . . . . 0.0 107.846 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 59.6 mt -61.4 -32.38 72.32 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.426 0.691 . . . . 0.0 110.424 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -63.67 -34.69 78.41 Favored 'General case' 0 C--N 1.343 0.307 0 CA-C-O 118.822 -0.609 . . . . 0.0 110.546 179.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -84.67 -43.16 14.62 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 119.677 1.126 . . . . 0.0 109.952 179.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -66.36 -52.14 49.98 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 115.259 1.577 . . . . 0.0 115.259 -179.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 33.4 t . . . . . 0 N--CA 1.466 0.353 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -178.459 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.8 t . . . . . 0 CA--C 1.52 -0.209 0 N-CA-C 108.725 -0.842 . . . . 0.0 108.725 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -59.39 -42.66 92.24 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -179.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.35 -34.4 77.24 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.839 -0.538 . . . . 0.0 110.527 178.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 45.5 mttt -68.49 -41.52 79.95 Favored 'General case' 0 C--O 1.224 -0.239 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 178.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 36.4 mt -57.78 -53.33 46.38 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.302 0 N-CA-C 105.676 -1.972 . . . . 0.0 105.676 178.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.57 -35.43 65.76 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 122.452 0.301 . . . . 0.0 111.652 178.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.5 tptp -61.52 -52.38 64.71 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.064 0.946 . . . . 0.0 109.0 178.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.92 -35.65 67.09 Favored 'General case' 0 C--O 1.225 -0.193 0 CA-C-N 119.411 1.005 . . . . 0.0 111.999 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 83.2 mtp -58.75 -35.79 73.3 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 119.893 1.224 . . . . 0.0 107.984 178.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.62 -18.54 61.58 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 125.095 1.331 . . . . 0.0 112.7 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -72.12 -35.62 69.19 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 119.48 1.64 . . . . 0.0 108.201 178.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 122.84 58.57 0.2 Allowed Glycine 0 CA--C 1.525 0.686 0 C-N-CA 125.017 1.294 . . . . 0.0 111.976 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -137.13 160.3 39.37 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 125.363 1.465 . . . . 0.0 109.197 178.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.16 157.49 25.26 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.987 0.915 . . . . 0.0 110.025 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -55.98 -43.62 77.76 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.474 1.11 . . . . 0.0 113.237 -178.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -56.83 -49.49 75.26 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 118.889 0.768 . . . . 0.0 112.072 -178.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -59.34 -48.46 81.55 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 126.028 1.731 . . . . 0.0 110.709 -178.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 87.9 t -62.76 -46.35 96.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 123.851 0.86 . . . . 0.0 110.566 -179.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.33 -37.38 83.05 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 118.949 -0.548 . . . . 0.0 109.627 -179.749 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.11 -54.19 47.7 Favored 'General case' 0 C--N 1.34 0.186 0 C-N-CA 125.204 1.402 . . . . 0.0 107.377 179.029 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.31 -49.13 72.97 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 124.629 1.171 . . . . 0.0 110.982 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.91 -36.02 83.03 Favored 'General case' 0 C--N 1.34 0.183 0 CA-C-N 119.759 1.163 . . . . 0.0 111.924 -179.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -63.27 -56.25 18.04 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-N 119.871 1.214 . . . . 0.0 109.454 179.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 77.4 mt -57.21 -50.41 76.71 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 C-N-CA 125.363 1.465 . . . . 0.0 108.447 -179.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.97 4.7 0.41 Allowed 'General case' 0 C--O 1.234 0.268 0 C-N-CA 126.646 1.978 . . . . 0.0 114.837 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 53.48 43.38 31.36 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 120.549 1.522 . . . . 0.0 108.471 -178.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 12.3 m120 58.17 27.04 14.49 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 128.742 2.817 . . . . 0.0 114.329 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 64.1 t-20 -99.56 118.78 36.87 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 120.323 1.419 . . . . 0.0 110.449 179.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 16.1 t -57.57 -44.28 84.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 C-N-CA 124.862 1.265 . . . . 0.0 110.171 179.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -60.05 -22.92 63.29 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 124.712 1.205 . . . . 0.0 113.933 -178.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.3 t -99.41 -40.92 9.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 179.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.09 -34.6 57.33 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.802 0.841 . . . . 0.0 111.9 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 37.8 ttt-85 -56.21 -52.2 65.29 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.028 0.531 . . . . 0.0 110.188 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 45.5 m -64.27 -31.02 72.06 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.231 0.612 . . . . 0.0 111.865 179.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 74.1 mt -68.36 -48.59 72.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-N 119.442 1.019 . . . . 0.0 108.561 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.6 mt -58.46 -32.06 68.39 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.277 0.631 . . . . 0.0 110.459 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.9 mmt85 -66.0 -21.49 66.41 Favored 'General case' 0 N--CA 1.461 0.11 0 C-N-CA 123.589 0.755 . . . . 0.0 111.91 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -100.34 -39.4 8.02 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 117.434 -1.269 . . . . 0.0 110.375 179.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 . . . . . 0 CA--C 1.533 0.324 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.448 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 6.6 t . . . . . 0 N--CA 1.467 0.377 0 CA-C-O 119.44 -0.314 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.16 -45.29 75.71 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.408 -0.807 . . . . 0.0 111.575 -179.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.27 -34.93 79.51 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.762 -0.586 . . . . 0.0 110.537 178.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 52.1 mttt -64.96 -42.11 94.88 Favored 'General case' 0 C--O 1.225 -0.224 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 178.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 58.2 mt -55.51 -54.18 28.34 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 N-CA-C 107.435 -1.321 . . . . 0.0 107.435 178.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.12 -37.44 71.97 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 119.618 -0.23 . . . . 0.0 110.83 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 15.0 tptp -60.96 -56.37 21.87 Favored 'General case' 0 C--N 1.341 0.199 0 C-N-CA 123.823 0.849 . . . . 0.0 109.401 179.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.09 -41.87 97.45 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 117.831 -1.081 . . . . 0.0 111.167 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 92.0 mtp -55.58 -36.3 66.72 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 120.002 1.273 . . . . 0.0 110.118 179.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.16 -23.83 62.43 Favored Glycine 0 C--N 1.339 0.743 0 C-N-CA 124.041 0.829 . . . . 0.0 112.822 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -73.73 -6.68 48.38 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.149 1.475 . . . . 0.0 110.011 178.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.42 60.13 1.01 Allowed Glycine 0 C--N 1.339 0.747 0 C-N-CA 127.01 2.243 . . . . 0.0 112.109 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -138.33 152.66 48.69 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 118.063 0.932 . . . . 0.0 109.349 178.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.18 153.62 29.9 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 123.097 0.559 . . . . 0.0 109.595 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -54.58 -42.92 71.62 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 -178.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -64.48 -37.59 88.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 119.37 0.986 . . . . 0.0 112.212 -178.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -68.74 -46.77 68.01 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 179.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 73.9 t -59.43 -49.17 84.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 124.874 1.27 . . . . 0.0 111.668 -179.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -56.59 -39.74 74.07 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.15 -52.07 65.31 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 179.525 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.43 -48.97 71.05 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 124.137 0.975 . . . . 0.0 110.83 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.7 -41.31 97.41 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 119.533 1.061 . . . . 0.0 110.53 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -62.4 -58.12 8.79 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 118.982 0.81 . . . . 0.0 110.522 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 75.1 mt -57.43 -46.96 85.74 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 C-N-CA 125.106 1.363 . . . . 0.0 110.084 -179.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.64 16.7 0.35 Allowed 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 -179.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 50.96 42.54 28.4 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.824 1.193 . . . . 0.0 111.253 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 8.2 m120 58.02 15.28 3.08 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 129.087 2.955 . . . . 0.0 114.33 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 57.8 t-20 -85.17 108.38 17.68 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.261 1.425 . . . . 0.0 108.061 177.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 37.1 t -52.43 -40.83 33.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 CA-C-N 119.968 1.258 . . . . 0.0 111.502 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -52.37 -31.12 32.22 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 125.19 1.396 . . . . 0.0 113.651 -178.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 64.1 t -99.7 -35.02 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 C-N-CA 123.784 0.834 . . . . 0.0 111.292 -179.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.81 -37.68 63.79 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 119.0 0.818 . . . . 0.0 110.215 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -55.59 -48.52 74.7 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.297 1.039 . . . . 0.0 110.702 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 13.1 m -70.56 -27.64 64.28 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.375 1.07 . . . . 0.0 112.094 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 81.5 mt -70.58 -47.58 63.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 178.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 17.0 mt -59.75 -29.71 68.34 Favored 'General case' 0 CA--C 1.527 0.079 0 C-N-CA 123.48 0.712 . . . . 0.0 110.832 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.06 -29.91 70.62 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 122.937 0.495 . . . . 0.0 111.775 179.101 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -91.61 -43.63 9.52 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -63.63 -52.87 58.94 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 119.243 0.929 . . . . 0.0 111.525 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 9.4 t . . . . . 0 CA--C 1.539 0.532 0 C-N-CA 123.602 0.761 . . . . 0.0 110.51 179.783 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 CA--C 1.53 0.206 0 N-CA-C 110.565 -0.161 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -53.81 -37.0 63.1 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 124.742 1.217 . . . . 0.0 113.269 -178.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.78 -33.54 74.27 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 122.804 0.442 . . . . 0.0 110.327 179.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.7 mttp -74.31 -37.13 63.71 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 123.844 0.858 . . . . 0.0 109.537 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 92.6 mt -59.64 -51.25 74.98 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 N-CA-C 106.475 -1.676 . . . . 0.0 106.475 178.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.72 -38.65 75.64 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 118.059 0.391 . . . . 0.0 110.924 179.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.0 tptp -61.23 -57.61 11.72 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.986 0.914 . . . . 0.0 110.684 179.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.71 -37.54 82.04 Favored 'General case' 0 C--N 1.339 0.147 0 CA-C-N 118.973 0.806 . . . . 0.0 110.79 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 52.2 mmm -57.94 -28.21 64.1 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 118.309 0.504 . . . . 0.0 110.842 178.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.58 -17.25 79.02 Favored Glycine 0 CA--C 1.529 0.965 0 C-N-CA 124.121 0.867 . . . . 0.0 112.899 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -78.26 -26.0 47.04 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 118.849 1.324 . . . . 0.0 110.651 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 119.86 50.65 0.29 Allowed Glycine 0 C--N 1.336 0.583 0 C-N-CA 123.916 0.769 . . . . 0.0 113.814 179.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -132.39 155.23 48.83 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 123.907 0.883 . . . . 0.0 109.85 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.57 154.82 30.03 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 121.543 0.687 . . . . 0.0 111.232 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -54.84 -40.83 70.02 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 124.971 1.308 . . . . 0.0 114.126 -177.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -62.04 -55.2 31.59 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 121.458 0.647 . . . . 0.0 109.335 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -56.25 -45.22 80.14 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 126.816 2.046 . . . . 0.0 111.487 -179.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.5 t -65.26 -57.05 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 C-N-CA 124.151 0.98 . . . . 0.0 110.877 -179.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -55.69 -38.19 69.33 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -62.48 -51.74 66.27 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.67 -38.12 77.48 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -64.38 -43.57 94.05 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 117.492 -1.242 . . . . 0.0 110.132 179.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.93 -43.54 98.62 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 119.762 1.165 . . . . 0.0 110.572 179.645 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 86.0 mt -63.14 -49.58 82.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.68 8.47 0.86 Allowed 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 54.6 47.05 23.51 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.686 1.13 . . . . 0.0 108.566 -177.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 47.78 59.29 4.28 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 128.846 2.858 . . . . 0.0 113.197 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -128.52 130.02 46.86 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 125.627 1.571 . . . . 0.0 107.186 179.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.8 t -66.95 -54.17 27.3 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 C-N-CA 124.085 0.954 . . . . 0.0 113.06 -178.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -53.39 -48.57 68.53 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 122.383 1.087 . . . . 0.0 110.866 -178.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 25.1 t -68.57 -43.63 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.815 0 C-N-CA 123.97 0.908 . . . . 0.0 108.988 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.1 -35.67 77.64 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 119.99 1.268 . . . . 0.0 111.404 179.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 56.1 mtt85 -60.07 -45.78 91.73 Favored 'General case' 0 C--O 1.219 -0.547 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 178.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.6 m -52.72 -36.05 56.89 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.595 0.758 . . . . 0.0 112.391 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 97.2 mt -70.68 -55.77 13.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 C-N-CA 124.33 1.052 . . . . 0.0 108.776 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 24.7 mt -60.56 -31.4 70.52 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.168 0.587 . . . . 0.0 111.234 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.4 mtp85 -63.78 -29.35 70.57 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 125.37 1.468 . . . . 0.0 110.072 178.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -91.98 -44.73 8.71 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.56 1.144 . . . . 0.0 110.946 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 . . . . . 0 C--N 1.34 0.176 0 CA-C-N 118.831 0.741 . . . . 0.0 110.547 -179.535 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.459 0.171 . . . . 0.0 110.749 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.27 -45.07 92.23 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 126.785 2.034 . . . . 0.0 110.92 -178.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.21 -39.78 79.92 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.553 0.741 . . . . 0.0 111.108 178.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 15.7 mttp -66.49 -45.96 77.87 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 119.164 -0.446 . . . . 0.0 109.978 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 89.8 mt -59.78 -47.12 92.52 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 N-CA-C 106.421 -1.696 . . . . 0.0 106.421 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.03 -19.55 65.28 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.226 -0.921 . . . . 0.0 113.077 179.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 29.5 tttp -78.18 -58.96 2.98 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 120.495 1.498 . . . . 0.0 109.87 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -58.16 -33.17 68.92 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 119.571 1.078 . . . . 0.0 110.71 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 54.9 mmm -59.73 -20.73 58.36 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.859 0.864 . . . . 0.0 111.805 178.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -81.97 -29.03 39.48 Favored Glycine 0 C--N 1.334 0.443 0 N-CA-C 110.452 -1.059 . . . . 0.0 110.452 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -63.92 -35.12 79.63 Favored 'General case' 0 C--N 1.34 0.155 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 179.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 143.2 -21.44 2.27 Favored Glycine 0 CA--C 1.527 0.784 0 C-N-CA 124.249 0.928 . . . . 0.0 114.909 178.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -61.22 150.55 34.22 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.501 1.15 . . . . 0.0 113.962 -177.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.24 151.41 39.92 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 126.171 1.789 . . . . 0.0 112.194 -178.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -57.26 -41.92 80.6 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 123.605 0.762 . . . . 0.0 112.47 -179.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -67.26 -22.09 65.69 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -178.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -91.87 -43.95 9.21 Favored 'General case' 0 C--O 1.224 -0.247 0 C-N-CA 124.799 1.24 . . . . 0.0 108.908 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 77.4 t -62.5 -54.32 35.55 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 C-N-CA 124.046 0.938 . . . . 0.0 109.972 -179.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -55.86 -37.9 69.4 Favored 'General case' 0 CA--C 1.521 -0.14 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -65.48 -54.35 29.61 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.88 -40.41 76.15 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 124.095 0.958 . . . . 0.0 112.192 -179.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.59 -43.51 96.74 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 120.082 1.31 . . . . 0.0 110.56 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -61.88 -46.13 90.75 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-N 120.366 1.439 . . . . 0.0 110.213 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 71.5 mt -63.34 -32.21 55.66 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -87.45 9.56 20.39 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.966 2.106 . . . . 0.0 112.694 179.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 51.89 47.64 24.37 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.044 1.337 . . . . 0.0 110.158 -178.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 64.1 m-20 52.98 52.68 13.36 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 129.278 3.031 . . . . 0.0 112.06 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -129.46 114.6 16.34 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.92 0.888 . . . . 0.0 110.005 178.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.2 t -54.49 -44.33 67.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 125.985 1.714 . . . . 0.0 111.374 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -56.07 -38.29 70.45 Favored 'General case' 0 N--CA 1.458 -0.06 0 C-N-CA 123.424 0.69 . . . . 0.0 112.515 -178.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 57.4 t -87.63 -37.91 11.36 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 C-N-CA 123.145 0.578 . . . . 0.0 110.522 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.89 -33.92 52.46 Favored 'General case' 0 C--N 1.344 0.352 0 CA-C-N 118.286 0.494 . . . . 0.0 111.248 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 30.5 mtt85 -55.99 -49.76 72.73 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 122.993 0.517 . . . . 0.0 111.699 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.5 m -63.54 -29.35 70.62 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 124.203 1.001 . . . . 0.0 112.24 -178.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 71.6 mt -74.88 -49.22 29.95 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 178.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 63.0 mt -58.64 -33.35 69.96 Favored 'General case' 0 C--N 1.339 0.14 0 C-N-CA 123.931 0.893 . . . . 0.0 109.77 179.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -64.42 -20.21 66.01 Favored 'General case' 0 N--CA 1.462 0.139 0 C-N-CA 124.62 1.168 . . . . 0.0 111.852 178.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -88.25 -57.88 2.76 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 106.74 -1.578 . . . . 0.0 106.74 177.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -62.86 -28.5 70.07 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 -177.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 42.6 t . . . . . 0 C--O 1.234 0.284 0 CA-C-N 119.94 1.245 . . . . 0.0 111.697 179.485 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.0 t . . . . . 0 CA--C 1.533 0.298 0 N-CA-C 108.463 -0.939 . . . . 0.0 108.463 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.61 -53.25 58.83 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.027 0.931 . . . . 0.0 110.326 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.59 -10.42 12.13 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 179.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.9 mttt -93.98 -34.67 12.96 Favored 'General case' 0 C--O 1.227 -0.129 0 O-C-N 120.975 -1.078 . . . . 0.0 108.576 178.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 94.4 mt -63.31 -58.79 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.19 -33.9 63.42 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 122.073 -0.392 . . . . 0.0 111.462 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.6 tttp -61.12 -56.48 20.37 Favored 'General case' 0 C--N 1.34 0.16 0 C-N-CA 123.112 0.565 . . . . 0.0 110.595 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.61 -35.48 81.15 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 118.083 -0.96 . . . . 0.0 110.984 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 87.8 mtp -56.95 -35.12 68.74 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 177.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.17 -22.33 62.8 Favored Glycine 0 C--N 1.342 0.909 0 C-N-CA 125.679 1.609 . . . . 0.0 113.301 178.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -71.22 -19.92 62.32 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 119.266 1.533 . . . . 0.0 107.304 177.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.04 60.24 0.53 Allowed Glycine 0 C--N 1.34 0.787 0 C-N-CA 127.933 2.682 . . . . 0.0 112.639 179.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -138.75 158.97 43.25 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 124.875 1.27 . . . . 0.0 109.699 178.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.84 154.67 31.6 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.738 0.815 . . . . 0.0 110.651 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -56.58 -44.39 81.01 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 124.034 0.934 . . . . 0.0 113.298 -179.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -60.53 -39.96 89.77 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 123.773 0.829 . . . . 0.0 111.327 -178.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -69.58 -49.1 57.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 122.131 0.967 . . . . 0.0 108.982 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 83.1 t -59.87 -46.99 93.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 C-N-CA 123.856 0.862 . . . . 0.0 111.593 -178.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.1 ttpt -57.95 -36.5 72.63 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 119.134 -0.46 . . . . 0.0 109.931 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.3 tpt180 -70.09 -50.09 44.3 Favored 'General case' 0 C--N 1.339 0.146 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 179.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.27 -45.02 76.14 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 123.89 0.876 . . . . 0.0 111.573 -179.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.13 -31.82 73.2 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 117.364 -1.303 . . . . 0.0 111.176 179.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -66.23 -50.72 62.83 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 120.799 1.636 . . . . 0.0 108.614 179.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 76.4 mt -57.99 -49.69 80.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 C-N-CA 125.049 1.34 . . . . 0.0 108.426 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.3 12.43 0.05 OUTLIER 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 127.173 2.189 . . . . 0.0 115.556 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 53.09 39.64 29.89 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 121.077 1.762 . . . . 0.0 108.648 -177.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.0 m120 52.32 40.57 29.49 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 127.984 2.514 . . . . 0.0 111.488 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 42.1 t-20 -110.38 120.97 44.15 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 124.286 1.035 . . . . 0.0 110.224 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.8 t -58.5 -48.28 85.85 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 125.353 1.461 . . . . 0.0 110.878 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -48.2 -53.7 16.05 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 126.12 1.768 . . . . 0.0 111.5 -178.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 23.4 t -72.65 -44.9 59.44 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 C-N-CA 125.948 1.699 . . . . 0.0 111.477 -178.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.79 -32.7 60.52 Favored 'General case' 0 C--N 1.34 0.188 0 O-C-N 121.593 -0.692 . . . . 0.0 111.862 -179.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -55.72 -49.66 72.44 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.659 0.783 . . . . 0.0 110.083 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.2 m -71.05 -34.37 71.17 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 118.372 -0.823 . . . . 0.0 111.278 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 54.2 mt -59.61 -53.74 44.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-N 119.327 0.967 . . . . 0.0 108.459 179.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.3 mt -60.96 -29.96 69.96 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 122.791 0.436 . . . . 0.0 111.503 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -30.74 71.77 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 122.592 0.357 . . . . 0.0 111.012 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -91.63 -38.36 12.5 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 118.761 -0.638 . . . . 0.0 109.563 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 . . . . . 0 C--N 1.342 0.257 0 CA-C-N 119.12 0.873 . . . . 0.0 109.437 179.123 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 44.9 t . . . . . 0 CA--C 1.53 0.19 0 CA-C-O 119.511 -0.281 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -58.32 -42.43 86.73 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 118.722 0.692 . . . . 0.0 110.175 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.26 -37.42 85.42 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 122.072 -0.392 . . . . 0.0 110.538 178.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -62.6 -37.31 85.74 Favored 'General case' 0 C--N 1.341 0.202 0 C-N-CA 123.475 0.71 . . . . 0.0 110.111 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 65.3 mt -60.92 -59.87 3.57 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 N-CA-C 106.657 -1.609 . . . . 0.0 106.657 179.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.88 -38.13 64.44 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 50.1 tttp -54.27 -56.76 15.25 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 123.927 0.891 . . . . 0.0 108.758 179.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -67.5 -36.99 82.16 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-O 118.514 -0.755 . . . . 0.0 112.161 179.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 96.4 mtp -58.4 -36.93 74.32 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 119.624 1.102 . . . . 0.0 109.672 179.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.48 -23.38 60.34 Favored Glycine 0 CA--C 1.529 0.912 0 CA-C-O 118.849 -0.973 . . . . 0.0 111.892 179.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -63.43 -33.03 74.65 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 119.68 1.74 . . . . 0.0 107.911 178.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 130.79 1.74 4.96 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 126.393 1.949 . . . . 0.0 114.01 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -79.12 155.69 28.61 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 118.961 1.38 . . . . 0.0 111.654 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.12 158.14 32.08 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.72 0.808 . . . . 0.0 109.67 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -55.74 -44.57 77.7 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 -178.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -64.79 -32.49 74.2 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -177.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -67.4 -49.76 62.45 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 123.904 0.881 . . . . 0.0 109.995 -179.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 57.6 t -63.12 -50.38 79.54 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 C-N-CA 125.411 1.484 . . . . 0.0 113.647 -178.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -57.66 -38.28 74.81 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 119.488 -0.885 . . . . 0.0 110.014 -179.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -71.51 -39.16 70.98 Favored 'General case' 0 CA--C 1.528 0.097 0 O-C-N 124.379 1.049 . . . . 0.0 109.661 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.47 -47.79 84.06 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 118.482 0.583 . . . . 0.0 110.072 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.02 -31.37 72.22 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-O 118.042 -0.98 . . . . 0.0 109.943 179.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -64.62 -57.03 10.21 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 119.95 1.25 . . . . 0.0 108.62 178.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 84.6 mt -58.67 -45.33 90.88 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 124.018 0.927 . . . . 0.0 109.869 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.08 3.59 2.01 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.929 1.692 . . . . 0.0 114.695 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 56.54 48.03 17.45 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 123.068 1.413 . . . . 0.0 109.451 -178.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 15.7 m120 61.08 17.27 7.87 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 129.091 2.956 . . . . 0.0 113.394 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 60.7 t-20 -88.0 119.62 28.55 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 120.042 1.292 . . . . 0.0 110.759 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 3.0 t -60.33 -41.21 86.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 C-N-CA 125.391 1.476 . . . . 0.0 112.111 179.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -70.43 -42.92 70.92 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 123.734 0.814 . . . . 0.0 112.115 -176.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 73.4 t -68.8 -40.52 81.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 177.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.86 -37.41 71.26 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 118.448 0.567 . . . . 0.0 109.493 178.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.36 -44.73 76.28 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.034 0.834 . . . . 0.0 109.663 178.54 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 9.4 m -73.51 -33.15 64.63 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.455 1.102 . . . . 0.0 112.02 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 62.6 mt -66.92 -49.76 70.97 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 179.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 11.9 mt -57.63 -31.82 66.63 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 123.644 0.777 . . . . 0.0 110.491 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.4 -17.73 63.69 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 124.625 1.17 . . . . 0.0 113.204 178.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -98.95 -45.76 5.85 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 119.693 1.133 . . . . 0.0 111.654 179.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -63.71 -53.26 54.01 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 118.96 0.8 . . . . 0.0 109.266 179.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 24.7 t . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.77 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.3 p . . . . . 0 CA--C 1.543 0.71 0 N-CA-C 105.677 -1.972 . . . . 0.0 105.677 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.38 -50.43 40.21 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 129.87 3.268 . . . . 0.0 110.11 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.96 -20.44 57.62 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 125.484 1.514 . . . . 0.0 112.988 -179.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.3 mttp -93.59 -38.96 11.09 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 124.684 1.194 . . . . 0.0 108.117 178.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 73.5 mt -59.19 -54.47 33.84 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 179.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.44 -34.08 64.16 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.1 tptt -65.53 -56.31 13.02 Favored 'General case' 0 C--N 1.339 0.144 0 C-N-CA 124.438 1.095 . . . . 0.0 108.993 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.66 -38.52 90.64 Favored 'General case' 0 C--N 1.34 0.183 0 CA-C-O 118.267 -0.873 . . . . 0.0 112.234 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 86.7 mtp -57.06 -29.15 63.19 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.676 1.125 . . . . 0.0 110.194 179.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.01 -8.77 69.94 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 121.06 -1.025 . . . . 0.0 113.2 179.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -90.37 -8.21 51.28 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 119.57 1.685 . . . . 0.0 112.7 -179.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.61 48.66 0.84 Allowed Glycine 0 C--N 1.338 0.671 0 C-N-CA 124.4 1.0 . . . . 0.0 112.387 179.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -139.9 149.27 43.16 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 123.934 0.894 . . . . 0.0 109.804 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.09 159.66 26.03 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 123.5 0.72 . . . . 0.0 111.675 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -56.62 -45.11 81.67 Favored 'General case' 0 CA--C 1.53 0.188 0 O-C-N 121.903 -0.498 . . . . 0.0 111.333 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -62.45 -30.58 71.34 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.113 0.565 . . . . 0.0 112.325 -178.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -79.17 -49.67 12.19 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 124.652 1.181 . . . . 0.0 109.201 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 91.6 t -62.55 -50.24 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 C-N-CA 124.237 1.015 . . . . 0.0 110.73 -179.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -57.52 -38.05 74.04 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.4 tpt180 -65.3 -48.87 71.61 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.07 -48.62 80.92 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 122.935 0.494 . . . . 0.0 110.605 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -56.17 -46.86 79.16 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 117.58 -1.2 . . . . 0.0 110.584 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -55.67 -56.99 13.93 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.213 1.005 . . . . 0.0 109.396 179.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 94.4 mt -55.74 -46.64 79.76 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 124.344 1.057 . . . . 0.0 109.439 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.45 3.27 2.42 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.845 2.058 . . . . 0.0 114.361 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 53.94 47.09 24.25 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 122.684 1.23 . . . . 0.0 108.576 -177.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 47.23 62.12 2.56 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 129.821 3.248 . . . . 0.0 113.428 179.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 57.7 t-20 -133.06 120.63 21.56 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.178 0.991 . . . . 0.0 109.927 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.5 t -61.21 -42.69 94.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 125.213 1.405 . . . . 0.0 112.214 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -65.85 -19.72 65.98 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 124.301 1.04 . . . . 0.0 112.688 -177.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.6 t -99.86 -43.83 11.29 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 C-N-CA 125.118 1.367 . . . . 0.0 109.771 179.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.37 -31.33 69.12 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -54.51 -52.61 61.42 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.234 0.925 . . . . 0.0 111.129 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.2 m -61.44 -34.5 75.52 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 118.321 -0.847 . . . . 0.0 112.087 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 61.6 mt -62.31 -51.83 67.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-N 119.74 1.155 . . . . 0.0 108.445 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 21.4 mt -61.98 -32.83 73.32 Favored 'General case' 0 C--O 1.225 -0.221 0 C-N-CA 123.042 0.537 . . . . 0.0 110.78 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.7 mmt85 -65.6 -40.27 92.46 Favored 'General case' 0 C--O 1.226 -0.169 0 CA-C-N 118.506 0.594 . . . . 0.0 110.209 178.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -69.04 -51.66 36.69 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.285 0.493 . . . . 0.0 109.989 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 . . . . . 0 N--CA 1.465 0.325 0 CA-C-N 118.478 0.581 . . . . 0.0 111.711 -179.493 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 4.5 p . . . . . 0 CA--C 1.538 0.511 0 CA-C-O 122.09 0.948 . . . . 0.0 108.457 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -54.32 -45.61 72.67 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 128.865 2.866 . . . . 0.0 110.76 -179.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.1 -36.61 68.35 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 125.128 1.371 . . . . 0.0 111.666 179.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 49.4 mttp -73.31 -42.61 62.17 Favored 'General case' 0 CA--C 1.518 -0.277 0 C-N-CA 124.47 1.108 . . . . 0.0 109.69 -179.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 87.2 mt -58.28 -52.98 52.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 179.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.21 -27.74 67.43 Favored 'General case' 0 CA--C 1.532 0.272 0 O-C-N 121.511 -0.743 . . . . 0.0 112.529 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 4.4 tptt -65.14 -66.33 0.56 Allowed 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 118.6 0.636 . . . . 0.0 110.048 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -60.63 -34.68 74.62 Favored 'General case' 0 C--O 1.224 -0.239 0 CA-C-O 118.114 -0.946 . . . . 0.0 111.466 -179.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 84.8 mtp -57.68 -28.21 63.58 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 119.856 1.207 . . . . 0.0 110.906 179.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -77.83 -20.17 74.07 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 121.249 -0.907 . . . . 0.0 112.637 179.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -78.9 -0.46 30.9 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.503 1.521 . . . . 0.0 112.542 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.28 46.16 2.06 Favored Glycine 0 C--N 1.338 0.656 0 CA-C-O 118.621 -1.099 . . . . 0.0 113.73 179.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -140.31 149.13 42.39 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 117.974 0.887 . . . . 0.0 109.71 178.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.82 162.03 26.37 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 123.66 0.784 . . . . 0.0 111.694 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -54.82 -46.26 74.55 Favored 'General case' 0 N--CA 1.461 0.108 0 C-N-CA 124.095 0.958 . . . . 0.0 112.199 -179.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -57.01 -51.42 69.34 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 122.987 0.515 . . . . 0.0 111.163 -179.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -56.92 -50.78 71.52 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 125.663 1.585 . . . . 0.0 110.788 -179.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 72.8 t -62.08 -56.76 15.58 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 C-N-CA 124.334 1.054 . . . . 0.0 110.903 -178.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 23.2 ttpt -57.22 -36.19 70.58 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 118.152 0.433 . . . . 0.0 110.238 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -64.03 -51.18 65.41 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.28 -44.05 95.68 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 123.439 0.696 . . . . 0.0 112.27 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -65.82 -34.72 78.8 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 119.792 1.178 . . . . 0.0 111.032 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -62.0 -44.08 97.49 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 119.54 1.064 . . . . 0.0 108.963 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 79.4 mt -67.74 -48.54 75.53 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 C-N-CA 125.347 1.459 . . . . 0.0 108.455 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.86 14.76 0.1 Allowed 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 129.107 2.963 . . . . 0.0 115.842 -179.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 53.0 37.48 24.78 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 120.629 1.559 . . . . 0.0 111.257 -178.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 54.95 54.28 9.22 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 126.469 1.908 . . . . 0.0 110.464 -179.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 42.1 t-20 -130.8 115.78 17.07 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 124.354 1.062 . . . . 0.0 109.557 179.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 48.7 t -57.25 -41.64 78.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 C-N-CA 125.588 1.555 . . . . 0.0 110.884 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -57.29 -28.56 63.13 Favored 'General case' 0 C--N 1.334 -0.09 0 C-N-CA 125.293 1.437 . . . . 0.0 112.45 -178.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 97.6 t -99.4 -43.81 11.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 C-N-CA 123.728 0.811 . . . . 0.0 110.68 -178.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.57 -32.48 51.01 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 118.602 0.637 . . . . 0.0 110.81 179.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -56.05 -41.91 75.76 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.186 1.395 . . . . 0.0 110.667 178.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 8.4 m -77.58 -33.14 54.01 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.974 0.91 . . . . 0.0 110.927 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 67.3 mt -65.6 -49.07 80.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 31.9 mt -59.15 -31.27 68.82 Favored 'General case' 0 C--O 1.224 -0.275 0 C-N-CA 123.332 0.653 . . . . 0.0 110.462 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.8 -25.33 66.41 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 118.42 0.555 . . . . 0.0 111.745 179.001 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -80.6 -57.79 3.41 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -63.06 -49.39 74.7 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 123.928 0.891 . . . . 0.0 112.554 -178.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 N--CA 1.449 -0.52 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 179.338 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.7 t . . . . . 0 CA--C 1.529 0.154 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.83 -34.65 71.78 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 120.977 -1.077 . . . . 0.0 111.221 -179.728 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.8 -16.69 59.21 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.822 0.849 . . . . 0.0 112.017 179.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 45.1 mttp -93.78 -34.78 13.06 Favored 'General case' 0 CA--C 1.517 -0.294 0 C-N-CA 124.864 1.266 . . . . 0.0 109.966 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.5 mt -58.8 -56.07 19.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.13 0 N-CA-C 107.019 -1.474 . . . . 0.0 107.019 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.91 -27.02 64.86 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 118.01 0.368 . . . . 0.0 111.93 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.0 tptt -67.03 -62.2 1.55 Allowed 'General case' 0 C--N 1.34 0.164 0 C-N-CA 124.028 0.931 . . . . 0.0 109.318 179.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.56 -35.44 76.06 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 118.411 0.55 . . . . 0.0 109.946 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 71.1 mmm -60.69 -24.94 66.01 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.508 -0.745 . . . . 0.0 110.191 178.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.8 -12.61 84.38 Favored Glycine 0 CA--C 1.525 0.694 0 C-N-CA 125.268 1.414 . . . . 0.0 111.855 179.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -80.42 -51.69 8.53 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 106.109 -1.811 . . . . 0.0 106.109 178.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 134.12 64.9 0.07 OUTLIER Glycine 0 C--N 1.336 0.546 0 C-N-CA 124.316 0.96 . . . . 0.0 111.489 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -135.51 152.05 50.95 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 125.828 1.651 . . . . 0.0 107.389 178.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.47 149.83 36.74 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 119.017 0.826 . . . . 0.0 109.523 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -49.85 -42.18 46.89 Favored 'General case' 0 CA--C 1.518 -0.259 0 C-N-CA 126.219 1.807 . . . . 0.0 113.8 -178.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -64.83 -41.45 95.73 Favored 'General case' 0 N--CA 1.449 -0.506 0 O-C-N 123.183 0.302 . . . . 0.0 111.21 -178.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -66.31 -46.77 75.8 Favored 'General case' 0 CA--C 1.517 -0.29 0 C-N-CA 126.187 1.795 . . . . 0.0 108.424 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.1 t -58.74 -57.06 12.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 123.921 0.889 . . . . 0.0 110.021 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.6 mtpt -58.21 -35.42 71.63 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 118.883 -0.579 . . . . 0.0 111.111 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -68.04 -53.22 27.38 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 -179.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.63 -44.12 76.83 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 123.899 0.879 . . . . 0.0 110.498 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.46 -39.97 92.81 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 116.774 -1.584 . . . . 0.0 110.163 179.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -64.58 -52.25 58.58 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 120.869 1.668 . . . . 0.0 109.544 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 94.5 mt -53.74 -46.38 62.34 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 124.26 1.024 . . . . 0.0 108.33 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.97 9.55 0.53 Allowed 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 126.765 2.026 . . . . 0.0 114.34 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 56.28 31.76 19.12 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 120.605 1.548 . . . . 0.0 110.605 -178.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 12.5 m120 65.18 28.62 12.1 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 130.126 3.37 . . . . 0.0 112.105 -178.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 56.2 t-20 -98.27 121.81 40.66 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 120.64 -1.287 . . . . 0.0 109.582 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 24.9 t -61.4 -46.09 97.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 CA-C-N 119.014 0.824 . . . . 0.0 110.525 179.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -59.93 -30.8 69.3 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 113.113 0.783 . . . . 0.0 113.113 -178.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 25.8 t -87.7 -39.18 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.67 -31.53 70.77 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 123.613 0.765 . . . . 0.0 110.93 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 48.3 mtt180 -54.79 -54.65 39.36 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 124.002 0.921 . . . . 0.0 108.624 178.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.5 m -58.14 -40.92 82.53 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.629 0.772 . . . . 0.0 112.25 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 72.8 mt -61.4 -49.5 84.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 C-N-CA 123.516 0.726 . . . . 0.0 109.52 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 24.4 mt -61.42 -29.28 69.84 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 117.764 -1.112 . . . . 0.0 111.163 -179.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 67.4 mtt180 -67.35 -32.54 73.56 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 120.112 1.324 . . . . 0.0 110.589 178.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -75.22 -44.49 45.98 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 119.267 -0.397 . . . . 0.0 110.396 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 . . . . . 0 N--CA 1.463 0.215 0 CA-C-N 118.467 0.576 . . . . 0.0 111.417 -179.787 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 19.5 t . . . . . 0 N--CA 1.463 0.198 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.93 -46.64 89.89 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 121.344 -0.847 . . . . 0.0 109.924 -179.39 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.47 -14.19 55.76 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.826 -0.546 . . . . 0.0 111.682 178.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 54.2 mttp -87.75 -46.48 9.44 Favored 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 106.703 -1.591 . . . . 0.0 106.703 178.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 67.8 mt -57.48 -52.41 57.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 N-CA-C 106.595 -1.632 . . . . 0.0 106.595 178.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.45 -12.77 16.04 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 25.6 tptt -79.73 -62.72 1.6 Allowed 'General case' 0 C--O 1.233 0.196 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 178.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -58.39 -33.56 69.76 Favored 'General case' 0 C--O 1.224 -0.268 0 C-N-CA 123.715 0.806 . . . . 0.0 110.446 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 63.0 mmm -56.2 -23.26 34.36 Favored 'General case' 0 CA--C 1.535 0.365 0 CA-C-N 118.568 0.622 . . . . 0.0 111.94 178.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -84.12 -20.76 58.53 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 121.005 -1.059 . . . . 0.0 112.253 178.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -78.89 -2.74 41.3 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 125.524 1.53 . . . . 0.0 113.962 -178.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.5 42.31 3.2 Favored Glycine 0 CA--C 1.53 0.987 0 CA-C-O 119.28 -0.733 . . . . 0.0 113.232 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -126.99 153.93 45.26 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 118.202 1.001 . . . . 0.0 109.516 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.34 148.82 30.5 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.032 0.933 . . . . 0.0 111.946 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -54.27 -42.44 69.99 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 123.729 0.811 . . . . 0.0 111.261 -179.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -55.75 -56.57 18.89 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.33 1.052 . . . . 0.0 109.28 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -59.56 -47.1 86.85 Favored 'General case' 0 CA--C 1.517 -0.301 0 C-N-CA 126.317 1.847 . . . . 0.0 111.159 -179.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 69.9 t -59.99 -53.39 49.27 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 C-N-CA 123.293 0.637 . . . . 0.0 110.024 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 4.4 mtpt -58.51 -39.09 79.12 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 179.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -63.12 -54.54 36.15 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.81 -45.34 70.76 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 125.646 1.578 . . . . 0.0 111.391 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.0 -41.57 96.77 Favored 'General case' 0 C--N 1.34 0.172 0 CA-C-N 120.016 1.28 . . . . 0.0 111.502 -179.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -60.49 -45.53 93.42 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 119.151 0.887 . . . . 0.0 111.124 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 54.5 mt -65.16 -49.31 79.87 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 C-N-CA 126.055 1.742 . . . . 0.0 107.891 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.17 13.18 0.05 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 129.244 3.018 . . . . 0.0 115.162 -179.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 55.65 33.14 20.66 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 120.653 1.569 . . . . 0.0 110.114 -178.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 3.7 m120 59.16 48.68 10.16 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 128.166 2.587 . . . . 0.0 109.798 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 -126.21 118.87 26.07 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 124.57 1.148 . . . . 0.0 111.377 -179.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.47 -41.78 88.84 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.143 0 C-N-CA 124.607 1.163 . . . . 0.0 110.087 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -58.98 -24.5 62.73 Favored 'General case' 0 C--O 1.231 0.105 0 C-N-CA 123.522 0.729 . . . . 0.0 112.774 -178.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 25.9 t -99.85 -39.83 7.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.53 -33.03 59.29 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.163 0.585 . . . . 0.0 111.051 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 52.4 mtt180 -56.01 -51.95 65.95 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 178.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.6 m -59.55 -35.77 74.86 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.702 1.201 . . . . 0.0 113.708 -179.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 75.3 mt -65.68 -55.68 18.6 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 C-N-CA 124.641 1.176 . . . . 0.0 108.749 -179.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 42.6 mt -57.41 -30.25 64.8 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 124.38 1.072 . . . . 0.0 112.261 -178.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -64.72 -32.76 74.58 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 119.054 0.843 . . . . 0.0 110.943 178.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -83.08 -48.99 10.0 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-O 118.992 -0.528 . . . . 0.0 110.648 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -63.95 -51.91 62.2 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 118.417 0.553 . . . . 0.0 111.685 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.537 0.463 0 C-N-CA 124.548 1.139 . . . . 0.0 108.545 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 64.5 t . . . . . 0 N--CA 1.463 0.194 0 CA-C-O 119.034 -0.508 . . . . 0.0 110.563 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -60.74 -37.76 82.85 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 119.996 1.271 . . . . 0.0 111.785 -179.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.89 -12.51 25.56 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.475 0.71 . . . . 0.0 112.235 178.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.4 mttt -95.19 -44.72 7.5 Favored 'General case' 0 C--O 1.222 -0.342 0 C-N-CA 126.357 1.863 . . . . 0.0 107.668 178.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.8 mt -58.18 -54.15 36.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 178.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.75 -27.91 63.46 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 122.472 0.309 . . . . 0.0 111.585 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.7 tptp -67.38 -63.63 1.02 Allowed 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.359 1.064 . . . . 0.0 108.654 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.99 -36.99 78.38 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-O 118.28 -0.866 . . . . 0.0 110.808 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 78.4 mtp -58.4 -27.19 64.05 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 120.059 1.3 . . . . 0.0 110.406 178.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.93 -15.44 79.7 Favored Glycine 0 CA--C 1.526 0.77 0 O-C-N 121.222 -0.924 . . . . 0.0 111.7 178.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -82.96 -0.92 50.87 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 119.427 1.614 . . . . 0.0 112.166 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.08 60.84 0.95 Allowed Glycine 0 C--N 1.338 0.653 0 C-N-CA 125.65 1.595 . . . . 0.0 112.807 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -146.42 149.83 34.46 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 117.751 0.775 . . . . 0.0 110.482 179.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.35 157.09 30.84 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 123.854 0.862 . . . . 0.0 108.925 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -57.8 -41.84 82.97 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 121.493 -0.754 . . . . 0.0 113.018 -178.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -58.92 -45.81 89.45 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 119.044 0.838 . . . . 0.0 111.944 -178.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -64.88 -49.28 71.1 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 125.344 1.458 . . . . 0.0 109.94 -179.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.8 t -59.32 -47.65 89.76 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.226 0 C-N-CA 123.98 0.912 . . . . 0.0 110.426 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.2 tttt -60.24 -39.3 86.23 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 118.741 -0.647 . . . . 0.0 109.908 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -61.8 -54.06 47.39 Favored 'General case' 0 C--N 1.342 0.274 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 -179.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.83 -46.75 84.28 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 123.335 0.654 . . . . 0.0 112.201 -179.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -60.99 -45.83 93.2 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.967 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -56.61 -51.98 66.61 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.796 0.838 . . . . 0.0 109.872 179.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 69.6 mt -57.67 -45.89 86.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.32 10.65 0.74 Allowed 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 55.19 37.56 29.08 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 121.903 2.138 . . . . 0.0 108.498 -177.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 54.33 48.78 19.96 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 127.711 2.404 . . . . 0.0 110.322 -178.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -115.7 103.91 11.16 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 124.484 1.113 . . . . 0.0 109.894 -179.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 24.9 t -48.28 -48.02 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 125.801 1.64 . . . . 0.0 112.157 -179.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -56.35 -28.44 59.07 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.409 1.084 . . . . 0.0 113.281 -179.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 94.9 t -99.36 -38.53 6.94 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-N 118.628 0.649 . . . . 0.0 110.024 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.62 -35.29 65.71 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 123.533 0.733 . . . . 0.0 110.888 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -59.66 -48.39 81.85 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.7 m -64.06 -34.64 78.48 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 123.307 0.643 . . . . 0.0 110.958 179.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 88.9 mt -64.71 -53.81 37.63 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 179.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 29.7 mt -58.82 -29.69 67.08 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 123.186 0.594 . . . . 0.0 110.196 179.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -65.19 -40.46 94.27 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 117.747 -1.12 . . . . 0.0 110.831 178.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -70.22 -46.47 64.44 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 119.609 1.095 . . . . 0.0 109.924 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 . . . . . 0 CA--C 1.538 0.508 0 C-N-CA 122.431 0.293 . . . . 0.0 110.4 -179.851 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 42.1 t . . . . . 0 CA--C 1.527 0.088 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -53.3 -39.71 64.21 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 119.274 0.943 . . . . 0.0 112.085 -178.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.09 -34.2 77.5 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.434 0.694 . . . . 0.0 111.408 178.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 51.7 mttp -69.99 -40.67 75.16 Favored 'General case' 0 CA--C 1.521 -0.141 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 69.4 mt -60.04 -49.31 84.52 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.128 0 N-CA-C 106.492 -1.67 . . . . 0.0 106.492 178.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.74 -41.93 78.36 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 118.085 0.402 . . . . 0.0 110.481 179.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 9.8 tptp -55.9 -51.27 68.19 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 123.217 0.607 . . . . 0.0 110.341 179.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -69.58 -45.75 67.94 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 117.92 -1.038 . . . . 0.0 111.325 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 87.4 mtp -53.4 -38.6 63.58 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 119.758 1.163 . . . . 0.0 110.102 179.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.58 -16.89 38.87 Favored Glycine 0 CA--C 1.529 0.927 0 CA-C-O 118.157 -1.357 . . . . 0.0 113.219 179.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -89.74 -9.33 49.77 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 120.19 1.995 . . . . 0.0 110.166 178.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.78 66.58 0.81 Allowed Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 124.68 1.134 . . . . 0.0 113.512 178.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -143.03 152.11 41.55 Favored 'General case' 0 C--O 1.24 0.574 0 N-CA-C 107.104 -1.443 . . . . 0.0 107.104 177.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.6 149.31 38.3 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 123.313 0.645 . . . . 0.0 110.478 -179.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -54.83 -41.93 71.28 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.05 0.54 . . . . 0.0 112.113 -179.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -62.65 -41.0 98.79 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 118.313 0.506 . . . . 0.0 111.895 -178.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -67.45 -49.24 64.53 Favored 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 125.984 1.714 . . . . 0.0 109.337 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 84.8 t -59.69 -50.88 78.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 114.224 -1.353 . . . . 0.0 109.913 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 65.0 tttt -56.08 -40.46 73.66 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 25.4 tpt180 -65.97 -48.52 71.01 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.77 -48.6 77.5 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.347 1.059 . . . . 0.0 111.648 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.55 -37.51 87.8 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-O 118.421 -0.799 . . . . 0.0 110.169 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -60.26 -49.63 76.83 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 124.011 0.924 . . . . 0.0 109.573 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 64.8 mt -61.69 -49.17 85.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 179.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.29 4.91 1.11 Allowed 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 126.308 1.843 . . . . 0.0 114.791 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 51.59 43.08 30.0 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 120.577 1.535 . . . . 0.0 109.807 -178.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 57.68 52.03 8.71 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 128.966 2.906 . . . . 0.0 111.179 -179.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -116.63 114.28 23.87 Favored 'General case' 0 CA--C 1.527 0.092 0 N-CA-C 107.332 -1.358 . . . . 0.0 107.332 178.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 40.7 t -59.42 -43.64 90.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 C-N-CA 124.958 1.303 . . . . 0.0 112.926 -178.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -61.43 -55.36 32.21 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 123.737 0.815 . . . . 0.0 110.543 -178.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 58.5 t -62.25 -42.07 93.91 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 C-N-CA 123.358 0.663 . . . . 0.0 109.287 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.22 -35.82 70.14 Favored 'General case' 0 C--N 1.343 0.3 0 CA-C-N 118.935 0.788 . . . . 0.0 110.138 179.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -58.35 -55.96 28.22 Favored 'General case' 0 C--N 1.342 0.252 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 178.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 20.3 m -60.92 -35.47 76.77 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.059 0.943 . . . . 0.0 111.464 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 62.0 mt -63.38 -55.43 23.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-N 119.692 1.133 . . . . 0.0 108.312 179.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 20.4 mt -59.99 -26.52 66.11 Favored 'General case' 0 C--O 1.226 -0.179 0 C-N-CA 122.943 0.497 . . . . 0.0 110.184 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -34.57 77.85 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 117.924 -1.036 . . . . 0.0 111.741 179.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -82.98 -46.84 12.41 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 123.757 0.823 . . . . 0.0 110.32 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -63.6 -36.55 84.17 Favored 'General case' 0 C--N 1.341 0.205 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 -179.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 3.0 t . . . . . 0 N--CA 1.444 -0.734 0 C-N-CA 125.72 1.608 . . . . 0.0 107.274 -179.118 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 62.6 t . . . . . 0 N--CA 1.463 0.175 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -57.32 -47.82 80.56 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 123.638 0.775 . . . . 0.0 111.261 -179.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.08 -9.8 18.48 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 179.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 53.3 mttt -91.05 -33.07 15.65 Favored 'General case' 0 C--O 1.227 -0.108 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 178.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.4 mt -59.88 -57.73 10.39 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 177.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.94 -17.3 36.71 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.126 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -74.75 -65.01 0.92 Allowed 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 178.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -59.15 -37.09 76.44 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 118.066 -0.969 . . . . 0.0 112.677 -178.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 91.6 mtp -55.59 -35.71 66.09 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.558 1.072 . . . . 0.0 110.392 179.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.32 -12.55 66.3 Favored Glycine 0 C--N 1.341 0.829 0 C-N-CA 123.831 0.729 . . . . 0.0 113.127 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -86.97 0.53 54.99 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.073 1.437 . . . . 0.0 110.222 178.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.6 53.84 1.9 Allowed Glycine 0 C--N 1.337 0.59 0 C-N-CA 125.887 1.708 . . . . 0.0 113.996 178.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -136.57 158.86 43.45 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 124.273 1.029 . . . . 0.0 109.756 178.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.44 150.49 23.12 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 122.825 0.45 . . . . 0.0 110.101 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -51.74 -43.43 62.9 Favored 'General case' 0 CA--C 1.521 -0.159 0 C-N-CA 124.919 1.287 . . . . 0.0 113.518 -178.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -61.02 -41.34 96.36 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 118.239 0.472 . . . . 0.0 111.62 -177.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -70.79 -38.9 73.41 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 124.357 1.063 . . . . 0.0 109.483 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 79.8 t -64.02 -43.86 97.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 O-C-N 121.118 -0.989 . . . . 0.0 109.13 179.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -61.45 -32.32 72.29 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.455 -0.778 . . . . 0.0 110.063 179.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.3 tpt180 -71.82 -50.2 31.82 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.358 1.063 . . . . 0.0 108.834 178.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.06 -49.11 78.04 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 124.911 1.284 . . . . 0.0 113.158 -178.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.06 -34.28 77.73 Favored 'General case' 0 C--N 1.34 0.184 0 CA-C-O 117.844 -1.074 . . . . 0.0 111.882 -178.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -58.71 -53.17 61.37 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 119.431 1.014 . . . . 0.0 108.91 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 65.1 mt -59.44 -48.03 88.61 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.44 10.18 0.37 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.531 1.933 . . . . 0.0 116.006 -179.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 52.1 42.8 30.74 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 121.546 1.976 . . . . 0.0 110.092 -178.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 51.47 44.37 29.05 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 126.434 1.894 . . . . 0.0 111.441 -178.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -115.6 114.3 24.73 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 178.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 27.8 t -55.27 -45.47 77.69 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 C-N-CA 124.424 1.09 . . . . 0.0 110.424 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -52.39 -37.79 57.35 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.918 1.287 . . . . 0.0 112.818 -178.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 98.3 t -90.43 -39.6 12.11 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.186 0 C-N-CA 123.216 0.607 . . . . 0.0 110.279 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.35 -34.11 66.3 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 118.788 0.722 . . . . 0.0 110.194 179.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -56.89 -53.53 56.86 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 107.486 -1.302 . . . . 0.0 107.486 178.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.6 m -59.23 -48.03 83.13 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 124.304 1.042 . . . . 0.0 110.824 179.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 56.1 mt -53.83 -46.61 63.56 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 C-N-CA 123.255 0.622 . . . . 0.0 110.699 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.6 mt -65.46 -20.12 66.22 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 118.574 -0.727 . . . . 0.0 111.951 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.7 mtp180 -67.0 -35.45 79.97 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 119.941 1.246 . . . . 0.0 108.109 178.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -82.6 -44.69 15.5 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 119.128 -0.463 . . . . 0.0 111.298 178.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 . . . . . 0 N--CA 1.469 0.504 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -179.078 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.9 t . . . . . 0 CA--C 1.532 0.258 0 CA-C-O 119.033 -0.508 . . . . 0.0 110.661 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -55.71 -34.36 65.04 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 119.632 1.105 . . . . 0.0 113.484 -178.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.82 -39.63 81.77 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 35.5 mttp -68.16 -44.5 75.85 Favored 'General case' 0 CA--C 1.518 -0.283 0 C-N-CA 124.763 1.225 . . . . 0.0 109.866 179.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 66.7 mt -55.44 -59.04 2.87 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.39 -32.05 56.28 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.67 -0.644 . . . . 0.0 112.686 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -58.11 -58.83 6.72 Favored 'General case' 0 C--N 1.341 0.22 0 C-N-CA 123.924 0.89 . . . . 0.0 109.059 179.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -67.15 -36.36 81.68 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-O 118.371 -0.824 . . . . 0.0 111.763 -179.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 95.6 mtp -55.56 -38.24 69.07 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 119.5 1.045 . . . . 0.0 110.448 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.17 -20.86 65.5 Favored Glycine 0 CA--C 1.525 0.713 0 CA-C-O 119.643 -0.532 . . . . 0.0 112.659 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -76.82 -5.0 46.48 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.732 1.266 . . . . 0.0 112.215 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.88 -3.69 25.8 Favored Glycine 0 C--N 1.335 0.509 0 CA-C-O 117.975 -1.458 . . . . 0.0 115.91 178.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -82.53 156.05 24.21 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 119.364 1.582 . . . . 0.0 111.36 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.28 158.38 24.8 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.842 0.857 . . . . 0.0 108.833 179.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -52.08 -48.12 64.85 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 125.312 1.445 . . . . 0.0 112.818 -178.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -61.18 -44.57 97.08 Favored 'General case' 0 CA--C 1.521 -0.144 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -178.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -59.52 -47.55 85.08 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 124.717 1.207 . . . . 0.0 109.496 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 97.4 t -64.37 -50.5 76.08 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.757 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 10.0 mtpt -58.14 -35.34 71.37 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 118.208 0.458 . . . . 0.0 111.415 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 24.3 tpt180 -65.67 -59.63 3.73 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.21 -42.1 76.68 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 124.414 1.086 . . . . 0.0 113.199 -178.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -63.21 -42.26 99.25 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 117.435 -1.269 . . . . 0.0 111.269 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -62.96 -49.52 74.39 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 120.407 1.458 . . . . 0.0 110.097 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 70.3 mt -55.82 -48.91 77.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.9 10.22 0.3 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.969 1.708 . . . . 0.0 114.907 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 55.57 38.4 30.15 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 120.982 1.719 . . . . 0.0 109.597 -178.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 54.28 49.39 18.66 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 128.574 2.749 . . . . 0.0 110.3 -178.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -116.75 118.21 31.91 Favored 'General case' 0 C--N 1.333 -0.131 0 C-N-CA 124.878 1.271 . . . . 0.0 107.722 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 65.5 t -65.25 -44.55 95.03 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-N 118.656 0.662 . . . . 0.0 112.477 -179.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -55.44 -42.86 74.81 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.238 0.615 . . . . 0.0 110.455 -178.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 88.7 t -76.41 -47.29 30.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 C-N-CA 123.48 0.712 . . . . 0.0 109.627 179.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.38 -32.15 64.5 Favored 'General case' 0 C--N 1.341 0.197 0 CA-C-N 118.793 0.724 . . . . 0.0 111.624 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -59.76 -50.41 73.92 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 178.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 69.5 m -63.05 -36.15 82.63 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.84 0.856 . . . . 0.0 110.739 179.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 58.3 mt -60.64 -54.91 28.68 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 N-CA-C 107.113 -1.44 . . . . 0.0 107.113 178.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 28.1 mt -60.99 -30.34 70.23 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 124.118 0.967 . . . . 0.0 111.507 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 53.2 mtp180 -68.15 -37.42 81.01 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 118.329 0.513 . . . . 0.0 110.021 179.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.96 -39.36 23.79 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 123.651 0.78 . . . . 0.0 110.476 178.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -69.36 -37.05 77.43 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.979 1.312 . . . . 0.0 113.456 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 N--CA 1.452 -0.353 0 C-N-CA 123.347 0.659 . . . . 0.0 109.394 -179.164 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.0 p . . . . . 0 CA--C 1.527 0.083 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -58.04 -35.92 71.99 Favored 'General case' 0 N--CA 1.466 0.364 0 O-C-N 121.727 -0.608 . . . . 0.0 111.27 -179.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.85 -40.62 95.44 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 121.369 0.604 . . . . 0.0 109.818 178.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -66.58 -42.54 86.85 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.485 0.714 . . . . 0.0 109.434 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 85.9 mt -59.05 -52.75 56.96 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.137 0 N-CA-C 107.133 -1.432 . . . . 0.0 107.133 179.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.8 -44.56 77.93 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 117.787 0.267 . . . . 0.0 110.571 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.7 tttp -56.46 -56.24 23.71 Favored 'General case' 0 C--N 1.34 0.165 0 C-N-CA 123.399 0.68 . . . . 0.0 110.305 179.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.59 -35.04 78.26 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 118.904 0.774 . . . . 0.0 111.931 179.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 84.3 mtp -60.83 -26.18 67.15 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 119.708 1.14 . . . . 0.0 108.168 177.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.12 -2.03 65.15 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 125.918 1.723 . . . . 0.0 112.009 178.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -97.75 2.75 49.89 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.226 1.513 . . . . 0.0 109.322 178.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.94 50.08 4.27 Favored Glycine 0 C--N 1.341 0.807 0 C-N-CA 124.838 1.208 . . . . 0.0 113.286 178.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -133.92 150.06 51.31 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-N 118.142 0.971 . . . . 0.0 108.95 179.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.23 151.69 44.06 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-O 121.226 0.536 . . . . 0.0 109.575 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -53.64 -42.81 68.2 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 123.016 0.526 . . . . 0.0 112.255 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -65.09 -24.86 67.56 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -178.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -83.83 -43.38 15.43 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.4 t -63.33 -54.25 35.37 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 C-N-CA 124.756 1.222 . . . . 0.0 111.041 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt -57.12 -37.94 72.72 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -61.6 -52.97 62.2 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.68 -44.13 90.16 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 123.767 0.827 . . . . 0.0 112.309 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -60.26 -46.4 89.95 Favored 'General case' 0 C--N 1.34 0.176 0 CA-C-O 118.497 -0.763 . . . . 0.0 111.063 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -56.76 -53.34 58.88 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 124.046 0.938 . . . . 0.0 110.29 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.9 mt -57.13 -45.22 84.32 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 C-N-CA 123.885 0.874 . . . . 0.0 108.976 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.33 4.57 2.19 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 127.117 2.167 . . . . 0.0 115.035 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 56.88 41.13 28.35 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 120.371 1.441 . . . . 0.0 108.082 -177.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 54.01 58.8 4.71 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 128.953 2.901 . . . . 0.0 111.1 -178.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 36.2 t-20 -122.81 121.94 37.48 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 124.804 1.242 . . . . 0.0 108.533 179.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.7 t -62.86 -46.65 95.81 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.191 0 C-N-CA 123.617 0.767 . . . . 0.0 112.243 -179.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -60.86 -46.48 90.43 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 118.733 0.697 . . . . 0.0 111.042 -178.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 47.4 t -69.11 -41.66 81.55 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 179.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.32 -40.24 89.88 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-N 119.606 1.093 . . . . 0.0 110.577 179.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -59.22 -48.73 80.54 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 178.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.0 m -59.56 -39.6 84.59 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.259 1.024 . . . . 0.0 110.938 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 74.2 mt -64.6 -48.94 82.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-N 119.562 1.074 . . . . 0.0 108.42 178.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.9 mt -63.67 -28.08 69.66 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 121.811 -0.556 . . . . 0.0 110.059 179.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.2 mmt180 -70.42 -14.41 62.54 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 123.949 0.9 . . . . 0.0 110.722 178.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -100.15 -53.79 3.05 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 125.056 1.342 . . . . 0.0 108.073 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 . . . . . 0 C--N 1.344 0.336 0 CA-C-N 118.224 0.465 . . . . 0.0 112.227 -179.77 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 6.4 p . . . . . 0 CA--C 1.533 0.318 0 CA-C-O 120.816 0.341 . . . . 0.0 110.692 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -58.26 -52.47 65.43 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 126.056 1.742 . . . . 0.0 110.174 -178.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.21 -17.77 64.76 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 122.443 0.297 . . . . 0.0 111.382 178.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -81.74 -43.25 18.67 Favored 'General case' 0 CA--C 1.517 -0.303 0 O-C-N 120.778 -1.201 . . . . 0.0 108.123 178.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 75.7 mt -61.38 -50.32 80.9 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 N-CA-C 104.988 -2.226 . . . . 0.0 104.988 178.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.83 -34.96 65.86 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.355 0.662 . . . . 0.0 112.218 179.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 36.9 tttp -65.8 -56.42 12.02 Favored 'General case' 0 CA--C 1.519 -0.223 0 C-N-CA 123.543 0.737 . . . . 0.0 110.757 179.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -62.95 -36.39 83.3 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 118.933 0.788 . . . . 0.0 110.393 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 89.6 mtp -62.66 -24.92 67.87 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.781 0.718 . . . . 0.0 109.512 177.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.42 -24.82 75.96 Favored Glycine 0 CA--C 1.525 0.668 0 C-N-CA 124.994 1.283 . . . . 0.0 111.195 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -68.81 -55.59 10.72 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 106.15 -1.796 . . . . 0.0 106.15 178.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 158.26 -5.82 0.15 Allowed Glycine 0 CA--C 1.524 0.624 0 C-N-CA 124.245 0.926 . . . . 0.0 114.301 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -71.53 156.13 39.78 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-N 118.663 1.232 . . . . 0.0 110.834 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.49 156.72 26.42 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 123.191 0.596 . . . . 0.0 110.694 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -55.6 -43.04 75.66 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 121.691 -0.631 . . . . 0.0 110.791 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -57.93 -31.94 67.31 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.507 1.123 . . . . 0.0 112.995 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -86.13 -47.93 9.06 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 125.149 1.38 . . . . 0.0 109.108 -179.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 72.2 t -59.1 -53.78 43.33 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 C-N-CA 124.246 1.018 . . . . 0.0 111.75 -178.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 21.6 ttpt -58.91 -36.94 75.54 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -63.18 -50.73 69.16 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 179.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.67 -43.54 97.54 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 124.099 0.96 . . . . 0.0 112.698 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.84 -41.68 99.44 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-N 119.443 1.019 . . . . 0.0 109.376 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.38 -51.21 70.34 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 118.809 0.732 . . . . 0.0 110.319 179.74 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 47.4 mt -58.88 -46.36 91.23 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.65 9.06 0.71 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 126.507 1.923 . . . . 0.0 114.501 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 54.71 32.49 17.48 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 120.432 1.469 . . . . 0.0 111.203 -178.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 68.12 49.53 0.85 Allowed 'General case' 0 C--O 1.237 0.406 0 C-N-CA 128.854 2.861 . . . . 0.0 111.218 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -121.05 116.19 24.56 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 123.999 0.92 . . . . 0.0 109.643 179.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 24.2 t -58.46 -45.78 89.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 C-N-CA 125.421 1.488 . . . . 0.0 111.421 179.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -57.84 -43.77 86.08 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 124.464 1.105 . . . . 0.0 110.803 -177.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 41.4 t -78.22 -40.6 25.79 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-O 119.48 -0.295 . . . . 0.0 110.28 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.4 -34.13 64.1 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 118.618 0.644 . . . . 0.0 111.879 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 43.1 mtt180 -56.45 -44.44 80.51 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 118.357 -0.83 . . . . 0.0 110.592 178.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 4.1 m -66.29 -39.32 89.29 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.666 0.786 . . . . 0.0 110.942 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 86.6 mt -62.11 -50.4 80.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.7 mt -63.68 -27.61 69.34 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.437 0.695 . . . . 0.0 109.888 179.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.32 -17.35 64.24 Favored 'General case' 0 C--N 1.341 0.201 0 O-C-N 121.177 -0.952 . . . . 0.0 110.761 178.217 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -101.55 -45.53 5.25 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 119.174 0.897 . . . . 0.0 110.773 177.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -65.02 -29.99 70.94 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 118.708 0.686 . . . . 0.0 112.443 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 46.4 t . . . . . 0 N--CA 1.454 -0.237 0 C-N-CA 124.696 1.198 . . . . 0.0 108.071 179.447 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 40.2 t . . . . . 0 CA--C 1.536 0.438 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.3 -40.48 82.13 Favored 'General case' 0 N--CA 1.462 0.147 0 C-N-CA 124.26 1.024 . . . . 0.0 110.969 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.07 -39.48 94.84 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 122.935 0.494 . . . . 0.0 110.666 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 70.9 mttt -66.99 -47.45 71.49 Favored 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 56.8 mt -56.55 -56.81 11.87 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.153 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 178.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.98 -34.48 63.38 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.257 0.623 . . . . 0.0 111.601 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -64.32 -56.81 11.89 Favored 'General case' 0 C--N 1.341 0.239 0 CA-C-N 119.375 0.989 . . . . 0.0 108.647 178.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -58.96 -40.51 84.93 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 118.888 0.767 . . . . 0.0 110.137 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 90.9 mtp -61.05 -32.38 72.0 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 119.696 1.135 . . . . 0.0 109.523 178.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.04 -13.4 72.7 Favored Glycine 0 CA--C 1.531 1.045 0 C-N-CA 124.735 1.16 . . . . 0.0 111.475 178.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -79.42 -32.32 42.83 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 119.312 1.556 . . . . 0.0 107.14 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 123.67 67.92 0.21 Allowed Glycine 0 C--N 1.337 0.627 0 C-N-CA 125.597 1.57 . . . . 0.0 111.169 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -144.63 156.2 44.0 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.7 1.2 . . . . 0.0 110.631 178.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.56 158.85 30.84 Favored 'General case' 0 C--N 1.341 0.221 0 C-N-CA 124.87 1.268 . . . . 0.0 110.129 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -59.07 -43.23 91.73 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 -178.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -68.76 -41.35 78.99 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 119.697 1.135 . . . . 0.0 112.412 -178.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -57.84 -50.53 72.98 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 123.581 0.752 . . . . 0.0 109.197 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.3 t -64.04 -45.56 96.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 O-C-N 121.783 -0.573 . . . . 0.0 110.747 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.7 ttpt -59.37 -33.39 71.12 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 118.559 0.618 . . . . 0.0 111.512 -179.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -75.83 -52.3 10.68 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 178.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.24 -46.59 72.61 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.54 1.136 . . . . 0.0 112.062 -178.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -62.08 -44.48 96.58 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.846 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -61.87 -48.8 78.91 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 119.107 0.867 . . . . 0.0 110.386 -179.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 95.7 mt -56.76 -46.23 83.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 N-CA-C 107.402 -1.332 . . . . 0.0 107.402 179.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.74 5.73 1.03 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.76 1.624 . . . . 0.0 114.546 179.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 53.84 43.9 30.29 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 120.921 1.692 . . . . 0.0 107.549 -177.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 49.08 49.46 19.48 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 129.104 2.962 . . . . 0.0 110.493 -178.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -111.04 116.86 31.88 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 106.499 -1.667 . . . . 0.0 106.499 178.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.2 t -58.04 -49.45 81.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 C-N-CA 123.656 0.783 . . . . 0.0 111.851 -179.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -60.96 -40.56 93.83 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -178.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.0 t -74.29 -40.46 50.13 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 179.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.97 -35.36 73.05 Favored 'General case' 0 CA--C 1.531 0.22 0 O-C-N 121.371 -0.831 . . . . 0.0 109.959 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 35.2 ttt-85 -64.97 -20.03 66.28 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 122.81 0.444 . . . . 0.0 111.454 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.0 m -90.76 -38.47 12.99 Favored 'General case' 0 C--O 1.226 -0.156 0 C-N-CA 124.903 1.281 . . . . 0.0 108.518 178.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 66.5 mt -58.12 -46.17 88.37 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 179.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 55.4 mt -70.02 -9.95 57.01 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 118.261 -0.876 . . . . 0.0 112.765 179.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -68.57 -41.65 79.41 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 176.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -74.91 -51.33 14.07 Favored 'General case' 0 CA--C 1.523 -0.082 0 O-C-N 123.994 0.808 . . . . 0.0 110.274 179.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 . . . . . 0 N--CA 1.466 0.335 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 -178.971 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 53.6 t . . . . . 0 CA--C 1.538 0.517 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.16 -51.69 61.2 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 125.514 1.526 . . . . 0.0 112.026 -179.705 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.53 -25.78 68.21 Favored 'General case' 0 C--O 1.23 0.078 0 CA-C-O 119.131 -0.462 . . . . 0.0 112.108 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 45.2 mttp -72.45 -41.12 66.45 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 94.1 mt -61.08 -51.02 78.04 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 N-CA-C 105.635 -1.987 . . . . 0.0 105.635 178.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.4 -41.64 80.69 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 121.829 -0.545 . . . . 0.0 110.561 179.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 31.2 tttp -58.51 -53.34 59.44 Favored 'General case' 0 C--N 1.339 0.134 0 C-N-CA 123.68 0.792 . . . . 0.0 111.141 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -68.25 -40.5 81.95 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 117.392 -1.289 . . . . 0.0 110.723 179.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 93.2 mtp -55.41 -35.96 65.94 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 120.525 1.511 . . . . 0.0 109.201 178.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.2 -18.36 54.88 Favored Glycine 0 CA--C 1.531 1.043 0 C-N-CA 125.091 1.329 . . . . 0.0 113.561 179.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -86.08 -5.0 59.29 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.504 1.652 . . . . 0.0 109.721 178.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.37 66.05 0.98 Allowed Glycine 0 C--N 1.338 0.682 0 C-N-CA 126.004 1.764 . . . . 0.0 112.556 179.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -139.96 161.15 38.29 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 124.388 1.075 . . . . 0.0 109.964 178.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.35 156.64 31.13 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 122.841 0.456 . . . . 0.0 110.68 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -62.59 -44.58 95.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.069 -0.395 . . . . 0.0 110.357 178.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -63.29 -40.72 98.16 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 117.798 0.272 . . . . 0.0 111.026 -178.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -63.24 -53.38 53.84 Favored 'General case' 0 N--CA 1.461 0.078 0 C-N-CA 125.444 1.497 . . . . 0.0 109.083 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 75.7 t -60.32 -52.66 58.79 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 C-N-CA 124.072 0.949 . . . . 0.0 111.696 -178.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 25.5 ttpt -55.24 -39.49 69.79 Favored 'General case' 0 CA--C 1.518 -0.258 0 O-C-N 123.961 0.788 . . . . 0.0 110.18 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -70.45 -51.59 28.2 Favored 'General case' 0 N--CA 1.453 -0.289 0 O-C-N 123.504 0.503 . . . . 0.0 110.298 -179.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.89 -39.12 77.12 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 118.382 -0.818 . . . . 0.0 111.515 -179.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.18 -43.32 98.58 Favored 'General case' 0 C--N 1.343 0.304 0 CA-C-N 119.945 1.248 . . . . 0.0 108.451 178.572 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.09 -48.3 78.93 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 125.501 1.52 . . . . 0.0 109.707 -179.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 76.3 mt -64.13 -45.75 95.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.48 13.78 0.06 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.666 1.986 . . . . 0.0 115.228 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 54.18 42.6 31.46 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 120.955 1.707 . . . . 0.0 107.893 -178.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 51.88 36.19 17.55 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 128.337 2.655 . . . . 0.0 111.258 -178.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 36.3 t-20 -109.82 119.42 39.29 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 120.122 1.328 . . . . 0.0 112.238 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 40.8 t -55.63 -44.88 78.36 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 C-N-CA 124.876 1.27 . . . . 0.0 112.007 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -58.13 -33.11 68.8 Favored 'General case' 0 C--O 1.231 0.08 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 -177.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 61.9 t -92.62 -41.06 12.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 C-N-CA 123.244 0.618 . . . . 0.0 110.694 -179.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.03 -35.69 64.71 Favored 'General case' 0 C--O 1.231 0.105 0 C-N-CA 123.876 0.87 . . . . 0.0 111.684 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 50.3 ttt-85 -62.53 -43.09 99.66 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 179.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 23.1 m -69.96 -34.65 73.68 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.165 0.586 . . . . 0.0 110.36 178.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 30.5 mt -60.71 -48.61 87.97 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 178.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 36.8 mt -62.5 -20.58 64.74 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.529 0.732 . . . . 0.0 112.414 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 -68.6 -38.71 80.84 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 120.078 1.308 . . . . 0.0 111.053 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -76.01 -43.43 44.28 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 123.704 0.627 . . . . 0.0 109.771 179.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -67.59 -37.35 82.46 Favored 'General case' 0 CA--C 1.529 0.17 0 O-C-N 121.632 -0.667 . . . . 0.0 111.418 179.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.444 -0.735 0 C-N-CA 126.353 1.861 . . . . 0.0 110.662 -177.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.691 0 N-CA-C 110.271 -1.132 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 p -46.76 -38.58 10.26 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 126.631 1.972 . . . . 0.0 115.96 -179.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 m -135.05 138.46 43.92 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.41 8.42 7.44 Favored Glycine 0 CA--C 1.524 0.597 0 CA-C-O 118.015 -1.436 . . . . 0.0 114.202 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.4 t -122.07 92.57 3.76 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 118.98 1.39 . . . . 0.0 108.471 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t 48.84 -164.43 0.03 OUTLIER 'General case' 0 C--O 1.239 0.517 0 C-N-CA 127.473 2.309 . . . . 0.0 113.973 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.52 -76.21 0.24 Allowed Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 125.787 1.66 . . . . 0.0 110.649 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -135.34 164.46 27.7 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 117.701 0.751 . . . . 0.0 110.37 -179.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.0 t -120.27 -52.7 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 C-N-CA 123.699 0.8 . . . . 0.0 110.241 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -57.74 -38.07 74.71 Favored 'General case' 0 C--O 1.233 0.191 0 O-C-N 121.45 -0.781 . . . . 0.0 112.728 -178.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.4 -38.05 89.64 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -66.98 -40.45 87.43 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.46 0.704 . . . . 0.0 109.546 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 95.5 mt -61.6 -51.08 77.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 N-CA-C 106.36 -1.719 . . . . 0.0 106.36 178.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.4 -41.1 68.87 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 122.975 0.51 . . . . 0.0 110.279 179.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.5 tptt -54.65 -63.25 1.21 Allowed 'General case' 0 C--O 1.234 0.246 0 C-N-CA 125.102 1.361 . . . . 0.0 110.637 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.58 -36.22 82.0 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.382 1.073 . . . . 0.0 112.268 -179.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 87.5 mtp -58.96 -29.96 67.56 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 119.578 1.081 . . . . 0.0 108.937 178.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.67 -16.36 69.81 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 124.324 0.964 . . . . 0.0 112.382 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -78.78 -7.54 57.92 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 118.458 1.129 . . . . 0.0 108.975 178.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.08 44.92 3.19 Favored Glycine 0 C--N 1.343 0.944 0 C-N-CA 125.353 1.454 . . . . 0.0 113.057 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -126.77 152.83 46.37 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 118.58 1.19 . . . . 0.0 109.839 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.01 147.62 48.42 Favored 'General case' 0 C--N 1.339 0.131 0 C-N-CA 123.143 0.577 . . . . 0.0 109.964 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -50.37 -44.05 54.6 Favored 'General case' 0 C--O 1.224 -0.257 0 C-N-CA 124.811 1.245 . . . . 0.0 111.999 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -57.21 -49.15 76.91 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.669 1.188 . . . . 0.0 112.408 -178.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -65.17 -40.14 93.88 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 125.467 1.507 . . . . 0.0 109.212 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 88.4 t -66.41 -45.63 88.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 O-C-N 121.406 -0.809 . . . . 0.0 109.587 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.8 -38.8 76.16 Favored 'General case' 0 CA--C 1.528 0.126 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 179.225 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.07 -50.98 68.44 Favored 'General case' 0 C--N 1.339 0.148 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 179.358 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.44 -45.83 84.26 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 122.991 0.516 . . . . 0.0 112.359 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -69.12 -28.44 66.47 Favored 'General case' 0 C--N 1.34 0.169 0 CA-C-O 117.512 -1.232 . . . . 0.0 111.715 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -64.99 -58.68 5.48 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 61.2 mt -55.98 -51.33 62.41 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 C-N-CA 126.297 1.839 . . . . 0.0 110.264 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.75 12.76 0.07 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.297 1.839 . . . . 0.0 115.813 -178.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 51.74 41.55 29.18 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 120.975 1.716 . . . . 0.0 109.026 -177.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.0 m120 55.37 54.95 7.94 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 127.615 2.366 . . . . 0.0 111.517 -179.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -126.48 118.96 26.01 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 121.041 -1.037 . . . . 0.0 109.769 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 30.9 t -61.06 -46.74 96.07 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 C-N-CA 125.367 1.467 . . . . 0.0 112.729 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -59.12 -31.71 69.18 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 125.207 1.403 . . . . 0.0 111.861 -177.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 98.2 t -90.88 -40.29 12.52 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 127.792 2.437 . . . . 0.0 111.121 -179.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.94 -32.18 72.57 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 124.345 1.058 . . . . 0.0 111.47 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 20.1 ttm180 -58.72 -36.87 74.99 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 118.978 -0.534 . . . . 0.0 109.75 179.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.9 m -68.29 -34.76 76.75 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.926 0.89 . . . . 0.0 111.319 179.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 82.1 mt -67.66 -50.76 57.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 C-N-CA 123.831 0.853 . . . . 0.0 108.705 -179.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.9 mt -62.54 -34.29 76.62 Favored 'General case' 0 N--CA 1.461 0.088 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -59.36 -44.72 92.67 Favored 'General case' 0 C--O 1.224 -0.254 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 178.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -69.16 -52.99 22.48 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.318 1.047 . . . . 0.0 111.432 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -68.84 -22.02 64.25 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 116.11 1.893 . . . . 0.0 116.11 -178.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.0 t -117.94 -59.97 1.85 Allowed 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 120.398 1.454 . . . . 0.0 111.585 -178.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.14 71.52 1.11 Allowed Glycine 0 CA--C 1.534 1.235 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -70.47 151.18 64.87 Favored 'Trans proline' 0 C--O 1.238 0.507 0 C-N-CA 122.873 2.382 . . . . 0.0 112.943 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.1 m -96.54 166.99 11.42 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.133 0.973 . . . . 0.0 110.859 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 56.9 m -145.68 -170.35 3.44 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 128.883 2.873 . . . . 0.0 106.343 178.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.503 -0.668 0 CA-C-O 117.816 -1.547 . . . . 0.0 110.846 179.06 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.084 0 N-CA-C 109.301 -1.52 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 77.6 p -66.23 -35.26 79.96 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 119.094 1.447 . . . . 0.0 113.445 -179.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 70.9 m -147.1 141.78 26.68 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.04 8.51 5.72 Favored Glycine 0 CA--C 1.526 0.737 0 CA-C-O 118.441 -1.2 . . . . 0.0 114.701 -179.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 2.2 t -77.71 91.92 4.11 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 119.828 1.814 . . . . 0.0 108.972 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 6.1 t 44.98 -118.2 0.66 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.553 1.541 . . . . 0.0 111.228 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.54 -167.66 13.68 Favored Glycine 0 C--N 1.338 0.656 0 C-N-CA 124.262 0.934 . . . . 0.0 112.117 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -58.03 147.7 28.58 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 178.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 20.3 t -101.58 -38.43 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 118.886 0.766 . . . . 0.0 109.808 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.55 -44.37 85.15 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 123.943 0.897 . . . . 0.0 109.777 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.5 -20.09 59.02 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.957 0.903 . . . . 0.0 112.955 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 41.0 mttp -89.87 -45.01 9.54 Favored 'General case' 0 CA--C 1.519 -0.213 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 79.4 mt -59.55 -55.89 20.8 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.14 -21.55 33.42 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.545 0.738 . . . . 0.0 112.529 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 58.2 tttt -78.82 -58.42 3.25 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 119.38 0.991 . . . . 0.0 109.659 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.04 -33.3 71.84 Favored 'General case' 0 C--N 1.339 0.15 0 CA-C-N 119.015 0.825 . . . . 0.0 111.743 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 90.9 mtp -60.29 -30.54 69.54 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 118.75 0.704 . . . . 0.0 110.335 178.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.03 -21.15 76.82 Favored Glycine 0 CA--C 1.528 0.847 0 CA-C-O 118.878 -0.957 . . . . 0.0 111.849 179.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -64.9 -53.65 43.22 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 105.874 -1.898 . . . . 0.0 105.874 178.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 151.16 16.12 0.07 OUTLIER Glycine 0 CA--C 1.532 1.12 0 CA-C-O 118.28 -1.289 . . . . 0.0 114.231 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -100.81 152.33 20.64 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 119.565 1.683 . . . . 0.0 111.011 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.18 160.66 32.06 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.676 0.791 . . . . 0.0 111.808 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -56.73 -45.07 82.14 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.602 0.761 . . . . 0.0 110.724 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -51.53 -53.95 32.42 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 125.622 1.569 . . . . 0.0 110.252 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -62.07 -46.98 86.72 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 126.591 1.956 . . . . 0.0 112.13 -178.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 84.2 t -64.64 -53.37 43.18 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 C-N-CA 123.249 0.619 . . . . 0.0 111.451 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 mtpt -54.89 -39.65 68.95 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 118.022 0.374 . . . . 0.0 110.309 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -64.95 -53.98 37.76 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.45 -43.55 71.73 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 122.714 0.405 . . . . 0.0 111.916 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.84 -43.12 97.12 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-O 118.183 -0.913 . . . . 0.0 111.061 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -59.45 -38.73 81.47 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 119.159 0.89 . . . . 0.0 111.585 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 81.7 mt -72.05 -42.21 67.84 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 C-N-CA 124.329 1.052 . . . . 0.0 109.019 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.17 6.85 2.49 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 128.689 2.796 . . . . 0.0 114.362 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 57.51 45.77 19.01 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 119.58 1.082 . . . . 0.0 108.256 -176.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 48.33 62.1 2.69 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 128.872 2.869 . . . . 0.0 110.557 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 64.4 t-20 -135.06 120.26 18.89 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.167 1.387 . . . . 0.0 110.45 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 29.1 t -58.63 -44.94 90.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 C-N-CA 124.164 0.985 . . . . 0.0 111.64 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -55.2 -39.3 69.47 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.064 0.946 . . . . 0.0 112.687 -177.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 61.3 t -86.56 -38.55 12.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-O 118.861 -0.59 . . . . 0.0 109.798 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.64 -33.33 46.35 Favored 'General case' 0 C--N 1.342 0.263 0 CA-C-N 119.184 0.902 . . . . 0.0 111.707 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -58.43 -51.15 71.06 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 178.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 6.3 m -59.76 -30.33 68.78 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.487 1.115 . . . . 0.0 112.264 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 99.6 mt -75.54 -46.01 38.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 21.7 mt -63.34 -30.92 71.97 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 178.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -67.17 -23.07 65.73 Favored 'General case' 0 CA--C 1.529 0.137 0 O-C-N 121.111 -0.993 . . . . 0.0 109.953 177.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -91.67 -43.33 9.66 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 119.136 0.88 . . . . 0.0 110.748 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -76.61 -22.7 53.81 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 119.068 0.849 . . . . 0.0 112.637 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 7.7 t -124.86 -60.92 1.34 Allowed 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 125.154 1.381 . . . . 0.0 111.521 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 54.24 60.79 7.96 Favored Glycine 0 CA--C 1.535 1.326 0 CA-C-O 118.332 -1.26 . . . . 0.0 111.316 -178.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -61.91 163.31 19.52 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 123.305 2.67 . . . . 0.0 113.629 -178.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 2.0 m -93.31 159.81 15.1 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 125.502 1.521 . . . . 0.0 111.359 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 19.6 m -144.11 153.76 42.49 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 106.028 -1.842 . . . . 0.0 106.028 177.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 N-CA-C 105.558 -3.017 . . . . 0.0 105.558 -178.833 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.685 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.7 m 57.09 -167.2 0.13 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.783 1.233 . . . . 0.0 111.488 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t -91.71 98.48 11.66 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 105.725 -1.954 . . . . 0.0 105.725 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.62 145.85 19.06 Favored Glycine 0 CA--C 1.522 0.483 0 N-CA-C 109.873 -1.291 . . . . 0.0 109.873 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.4 165.87 14.93 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 124.626 1.17 . . . . 0.0 109.3 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.4 t 49.41 -134.14 1.44 Allowed 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.975 1.31 . . . . 0.0 110.559 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.43 -160.91 24.86 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 109.729 -1.349 . . . . 0.0 109.729 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -53.97 137.26 39.79 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.545 0.738 . . . . 0.0 110.679 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 38.3 t -104.42 -37.59 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 C-N-CA 125.158 1.383 . . . . 0.0 112.563 -178.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -52.87 -46.79 68.06 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 125.007 1.323 . . . . 0.0 110.806 -179.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.81 -33.1 75.19 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.021 0.928 . . . . 0.0 110.889 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 46.7 mttp -64.66 -44.69 89.58 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 119.475 1.034 . . . . 0.0 108.361 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 92.8 mt -63.06 -49.35 83.79 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.62 -34.89 67.69 Favored 'General case' 0 CA--C 1.536 0.426 0 O-C-N 121.604 -0.685 . . . . 0.0 112.251 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.6 tptm -61.35 -63.52 1.25 Allowed 'General case' 0 C--N 1.339 0.121 0 C-N-CA 124.899 1.28 . . . . 0.0 108.47 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.16 -35.75 77.96 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 118.39 -0.814 . . . . 0.0 112.358 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 84.3 mtp -58.56 -34.63 71.26 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 119.789 1.177 . . . . 0.0 110.064 178.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -66.97 -18.2 68.51 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 123.867 0.746 . . . . 0.0 112.484 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -72.1 -14.61 61.89 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.741 1.27 . . . . 0.0 109.485 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.66 39.82 1.83 Allowed Glycine 0 CA--C 1.526 0.769 0 C-N-CA 125.364 1.459 . . . . 0.0 111.47 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -128.89 149.11 50.91 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 119.027 1.413 . . . . 0.0 109.911 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.17 154.29 33.29 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 121.702 0.763 . . . . 0.0 110.409 -179.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -52.3 -39.02 59.97 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 126.624 1.97 . . . . 0.0 111.434 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -62.5 -46.51 88.1 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 119.201 0.909 . . . . 0.0 110.628 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -62.3 -50.59 71.06 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 124.366 1.066 . . . . 0.0 109.21 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 65.9 t -62.86 -48.33 88.56 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 C-N-CA 124.3 1.04 . . . . 0.0 111.937 -178.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -62.43 -38.08 88.34 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 118.047 -0.978 . . . . 0.0 109.187 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.6 tpt180 -64.71 -48.74 73.54 Favored 'General case' 0 C--N 1.341 0.196 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.18 -60.17 3.69 Favored 'General case' 0 N--CA 1.434 -1.244 0 C-N-CA 125.929 1.692 . . . . 0.0 108.873 179.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -56.35 -25.66 50.06 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 119.473 1.033 . . . . 0.0 112.941 -178.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -69.13 -46.98 66.3 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 81.8 mt -66.01 -48.15 82.68 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 C-N-CA 125.454 1.501 . . . . 0.0 110.061 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.69 12.47 0.07 Allowed 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 116.537 2.051 . . . . 0.0 116.537 -178.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 55.8 37.2 28.57 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 120.311 1.414 . . . . 0.0 108.735 -177.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 51.98 57.76 6.16 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 128.089 2.556 . . . . 0.0 113.089 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 64.1 t-20 -131.86 123.94 28.53 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 126.518 1.927 . . . . 0.0 110.767 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 33.5 t -65.44 -40.69 89.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 C-N-CA 126.231 1.812 . . . . 0.0 112.67 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -59.81 -41.65 91.72 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.328 1.051 . . . . 0.0 110.939 -178.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.8 t -78.62 -44.29 25.84 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.15 -29.11 29.56 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 -178.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -54.63 -49.49 70.39 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 119.32 0.963 . . . . 0.0 110.795 178.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.5 m -65.28 -23.82 67.14 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.997 1.319 . . . . 0.0 113.753 -179.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 71.7 mt -80.59 -48.33 19.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 N-CA-C 106.487 -1.672 . . . . 0.0 106.487 179.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.5 mt -62.76 -26.38 68.68 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 120.405 -1.435 . . . . 0.0 110.676 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 -60.87 -53.45 57.11 Favored 'General case' 0 C--O 1.226 -0.172 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 177.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -69.55 -39.54 77.35 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 118.432 0.56 . . . . 0.0 112.096 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -73.62 -19.05 60.96 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 115.216 1.562 . . . . 0.0 115.216 -178.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.3 t -136.74 16.01 3.11 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 120.436 1.471 . . . . 0.0 113.751 -178.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -178.79 56.74 0.09 OUTLIER Glycine 0 CA--C 1.532 1.106 0 O-C-N 120.897 -1.127 . . . . 0.0 112.587 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -61.11 111.2 1.02 Allowed 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 123.391 2.728 . . . . 0.0 110.261 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.0 p -159.34 152.29 21.96 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.1 m -119.58 -7.25 10.14 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 -178.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 117.901 -1.499 . . . . 0.0 109.614 -179.718 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.781 0 N-CA-C 107.276 -2.33 . . . . 0.0 107.276 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 17.5 m 70.87 171.11 0.32 Allowed 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 127.072 2.149 . . . . 0.0 108.37 -177.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t -76.27 116.66 17.17 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 106.139 -1.8 . . . . 0.0 106.139 178.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.73 107.58 0.59 Allowed Glycine 0 N--CA 1.444 -0.773 0 N-CA-C 108.116 -1.994 . . . . 0.0 108.116 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 7.9 t -67.08 169.85 7.8 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.054 0.942 . . . . 0.0 109.192 178.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 5.7 t 69.31 172.41 0.3 Allowed 'General case' 0 C--O 1.237 0.403 0 C-N-CA 126.281 1.832 . . . . 0.0 111.677 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.71 -148.46 19.34 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 126.871 2.177 . . . . 0.0 108.457 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -87.04 163.39 17.06 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.137 1.469 . . . . 0.0 107.813 178.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 71.3 t -110.03 -45.22 6.24 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 C-N-CA 124.999 1.32 . . . . 0.0 110.981 -179.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -55.36 -41.28 72.34 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 123.926 0.89 . . . . 0.0 110.261 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.04 -38.24 85.46 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 126.092 1.757 . . . . 0.0 110.772 178.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 42.3 mttp -71.48 -42.48 68.02 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 118.191 -0.909 . . . . 0.0 109.116 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 94.1 mt -57.66 -51.86 64.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 N-CA-C 106.908 -1.516 . . . . 0.0 106.908 178.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.95 -36.43 67.79 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 122.147 0.179 . . . . 0.0 110.955 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 38.5 tttt -56.17 -45.04 79.85 Favored 'General case' 0 CA--C 1.528 0.1 0 O-C-N 121.106 -0.996 . . . . 0.0 111.836 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -69.23 -31.97 70.9 Favored 'General case' 0 CA--C 1.527 0.088 0 CA-C-N 119.275 0.943 . . . . 0.0 109.832 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 94.7 mtp -63.9 -21.93 66.69 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 177.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.41 -23.48 73.48 Favored Glycine 0 CA--C 1.536 1.351 0 N-CA-C 108.815 -1.714 . . . . 0.0 108.815 176.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -88.94 -49.43 6.79 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 177.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 134.51 8.37 1.99 Allowed Glycine 0 C--N 1.344 0.985 0 N-CA-C 117.359 1.704 . . . . 0.0 117.359 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -72.03 170.32 14.11 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 120.602 2.201 . . . . 0.0 109.837 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.52 151.39 25.43 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 177.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -52.75 -43.8 66.02 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 124.47 1.108 . . . . 0.0 113.552 -178.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -63.29 -42.36 99.08 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 122.815 0.446 . . . . 0.0 111.353 -178.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -61.87 -43.5 98.71 Favored 'General case' 0 CA--C 1.529 0.138 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 88.2 t -63.26 -53.17 49.33 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 C-N-CA 123.554 0.742 . . . . 0.0 110.508 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 19.2 ttpt -54.87 -36.68 65.37 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 18.8 tpt180 -68.65 -55.24 12.14 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.87 -40.87 76.96 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 125.982 1.713 . . . . 0.0 113.804 -178.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -60.57 -39.46 88.08 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 119.674 1.125 . . . . 0.0 110.762 -179.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -62.96 -46.12 89.21 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 119.248 0.931 . . . . 0.0 110.483 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 59.8 mt -59.35 -48.6 86.5 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.58 12.56 0.34 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 127.533 2.333 . . . . 0.0 115.445 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 51.79 43.88 29.71 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 120.942 1.701 . . . . 0.0 110.08 -178.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 50.71 41.2 25.8 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 128.106 2.562 . . . . 0.0 112.034 -179.252 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -114.52 115.71 27.66 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.9 t -56.77 -41.5 75.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 C-N-CA 123.834 0.853 . . . . 0.0 110.431 179.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -52.9 -34.18 53.79 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 125.328 1.451 . . . . 0.0 111.348 -178.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 38.8 t -97.42 -34.8 4.98 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-N 118.244 0.475 . . . . 0.0 109.795 179.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.88 -37.49 71.44 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 119.228 0.922 . . . . 0.0 109.908 179.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -56.95 -49.95 74.12 Favored 'General case' 0 C--O 1.222 -0.36 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 178.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 17.6 m -60.73 -30.1 69.78 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 125.183 1.393 . . . . 0.0 113.725 -179.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 86.3 mt -74.48 -56.89 7.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 178.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 42.3 mt -56.36 -32.61 64.9 Favored 'General case' 0 CA--C 1.519 -0.225 0 C-N-CA 125.603 1.561 . . . . 0.0 111.992 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -48.94 -52.81 22.61 Favored 'General case' 0 CA--C 1.512 -0.49 0 C-N-CA 125.305 1.442 . . . . 0.0 111.167 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -90.63 -28.03 18.68 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 118.579 -0.724 . . . . 0.0 112.879 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -63.06 -31.55 72.72 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 119.129 0.877 . . . . 0.0 108.768 179.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 6.3 t -113.37 22.1 14.55 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 126.451 1.9 . . . . 0.0 110.454 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 167.62 77.21 0.04 OUTLIER Glycine 0 CA--C 1.529 0.931 0 CA-C-N 120.038 1.29 . . . . 0.0 114.603 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -58.49 113.5 1.58 Allowed 'Trans proline' 0 CA--C 1.535 0.526 0 C-N-CA 123.024 2.482 . . . . 0.0 108.367 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 2.3 p -147.02 154.19 40.92 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 123.981 0.912 . . . . 0.0 108.737 -178.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 2.2 m -126.97 -10.41 6.0 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -178.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.267 0 C-N-CA 125.979 1.752 . . . . 0.0 110.073 179.86 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.535 0 N-CA-C 108.989 -1.645 . . . . 0.0 108.989 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 p -135.86 -36.59 0.76 Allowed 'General case' 0 C--O 1.236 0.348 0 C-N-CA 123.892 0.877 . . . . 0.0 111.375 179.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.3 m -160.37 120.77 2.91 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 127.323 2.249 . . . . 0.0 105.888 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.21 90.2 0.08 OUTLIER Glycine 0 C--N 1.329 0.181 0 N-CA-C 109.867 -1.293 . . . . 0.0 109.867 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.93 31.81 19.98 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.421 1.088 . . . . 0.0 113.452 179.493 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.45 132.13 49.14 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.032 1.733 . . . . 0.0 107.547 178.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.91 -28.09 73.01 Favored Glycine 0 CA--C 1.533 1.19 0 O-C-N 121.137 -0.977 . . . . 0.0 114.041 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -63.95 149.98 46.08 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 124.647 1.179 . . . . 0.0 111.344 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.6 p -135.65 -30.07 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.813 178.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -55.88 -51.05 68.94 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 120.394 1.452 . . . . 0.0 110.491 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.51 -31.94 69.83 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.458 0.703 . . . . 0.0 111.558 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.0 mttt -71.27 -39.39 71.58 Favored 'General case' 0 CA--C 1.519 -0.215 0 C-N-CA 123.665 0.786 . . . . 0.0 109.416 179.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 78.9 mt -62.04 -49.05 85.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 N-CA-C 105.624 -1.991 . . . . 0.0 105.624 178.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.28 -25.58 67.19 Favored 'General case' 0 CA--C 1.536 0.417 0 O-C-N 121.856 -0.528 . . . . 0.0 111.868 179.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.8 tttt -69.56 -63.79 1.0 Allowed 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -59.57 -34.99 73.4 Favored 'General case' 0 C--O 1.225 -0.186 0 C-N-CA 123.672 0.789 . . . . 0.0 111.562 -179.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 49.2 mmm -57.06 -26.48 60.44 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 119.15 0.886 . . . . 0.0 111.085 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.2 -18.21 74.7 Favored Glycine 0 CA--C 1.527 0.843 0 O-C-N 121.017 -1.052 . . . . 0.0 112.771 178.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -80.22 -6.38 57.74 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.194 1.398 . . . . 0.0 111.378 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.94 -0.51 55.08 Favored Glycine 0 C--N 1.34 0.77 0 C-N-CA 124.49 1.043 . . . . 0.0 114.404 179.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -74.8 161.99 29.08 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 118.627 1.213 . . . . 0.0 110.89 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.21 152.37 26.45 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 124.001 0.92 . . . . 0.0 110.274 179.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -55.04 -42.53 72.79 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 123.518 0.727 . . . . 0.0 110.456 179.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -57.93 -53.56 56.81 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 124.346 1.058 . . . . 0.0 110.585 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -59.68 -47.08 87.05 Favored 'General case' 0 CA--C 1.516 -0.342 0 C-N-CA 125.318 1.447 . . . . 0.0 110.822 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 64.3 t -58.87 -56.61 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 C-N-CA 124.751 1.22 . . . . 0.0 109.18 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.8 mtpt -56.62 -40.66 75.73 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-O 119.111 -0.471 . . . . 0.0 110.579 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.2 tpt180 -64.08 -46.26 85.08 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 -178.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.14 -43.92 97.78 Favored 'General case' 0 N--CA 1.445 -0.675 0 C-N-CA 123.081 0.552 . . . . 0.0 110.76 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.3 -43.49 98.79 Favored 'General case' 0 C--N 1.342 0.246 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 179.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -57.82 -45.34 86.29 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.283 1.433 . . . . 0.0 110.903 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.2 mt -68.69 -44.47 82.38 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.62 0.7 8.03 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 128.807 2.843 . . . . 0.0 115.375 -179.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 59.96 53.85 4.49 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.666 1.186 . . . . 0.0 108.685 -176.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 49.57 50.51 18.1 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 128.079 2.552 . . . . 0.0 110.778 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -124.17 120.98 33.87 Favored 'General case' 0 C--N 1.333 -0.14 0 O-C-N 121.475 -0.766 . . . . 0.0 111.368 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 38.6 t -63.36 -53.18 48.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 C-N-CA 125.941 1.696 . . . . 0.0 110.834 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -49.8 -48.2 50.83 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.701 1.2 . . . . 0.0 110.595 -178.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 69.1 t -73.92 -43.6 52.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 123.05 0.54 . . . . 0.0 110.543 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.22 -34.63 66.5 Favored 'General case' 0 C--N 1.341 0.214 0 CA-C-N 119.332 0.969 . . . . 0.0 110.995 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 35.0 mtp180 -60.89 -25.46 66.73 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 117.468 -1.254 . . . . 0.0 110.296 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.3 m -79.02 -55.43 5.13 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-N 120.038 1.29 . . . . 0.0 108.037 178.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 78.9 mt -49.84 -46.36 22.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 C-N-CA 125.534 1.534 . . . . 0.0 111.518 -178.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.2 mt -62.87 -22.58 66.8 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 118.265 -0.874 . . . . 0.0 112.142 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.8 mmt85 -70.56 -44.35 67.59 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 120.31 1.414 . . . . 0.0 107.381 178.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -57.84 -57.57 12.17 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -64.05 -49.7 71.33 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 118.813 0.733 . . . . 0.0 112.652 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.4 t -76.37 16.0 0.52 Allowed 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 117.959 -1.019 . . . . 0.0 113.038 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -43.0 -67.49 0.94 Allowed Glycine 0 CA--C 1.532 1.119 0 C-N-CA 125.546 1.546 . . . . 0.0 112.501 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -73.15 113.27 3.73 Favored 'Trans proline' 0 N--CA 1.45 -1.061 0 C-N-CA 122.809 2.34 . . . . 0.0 108.69 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 77.6 p -132.92 165.29 25.01 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 124.477 1.111 . . . . 0.0 108.165 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 33.6 m -113.79 -26.6 8.12 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.312 0 N-CA-C 108.268 -1.933 . . . . 0.0 108.268 -179.76 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.893 0 N-CA-C 110.063 -1.215 . . . . 0.0 110.063 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 20.6 p -117.52 -76.82 0.57 Allowed 'General case' 0 CA--C 1.521 -0.136 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 52.5 m -129.4 123.88 32.8 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 125.06 1.344 . . . . 0.0 108.574 -179.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.63 165.84 23.49 Favored Glycine 0 CA--C 1.52 0.395 0 N-CA-C 109.215 -1.554 . . . . 0.0 109.215 -179.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 15.7 m 54.1 18.27 1.69 Allowed 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.937 1.295 . . . . 0.0 113.876 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 17.2 p -85.4 157.82 20.4 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 125.104 1.362 . . . . 0.0 109.455 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.48 -48.57 6.68 Favored Glycine 0 CA--C 1.527 0.812 0 N-CA-C 109.468 -1.453 . . . . 0.0 109.468 178.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -46.29 109.33 0.18 Allowed 'General case' 0 C--O 1.238 0.45 0 C-N-CA 126.842 2.057 . . . . 0.0 112.944 -179.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 6.9 p -93.96 -30.05 4.3 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 C-N-CA 124.575 1.15 . . . . 0.0 109.142 178.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -48.05 -57.19 6.13 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 126.861 2.064 . . . . 0.0 112.106 -179.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.42 -24.88 67.65 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 21.9 mttp -72.09 -41.45 67.3 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 97.1 mt -61.34 -50.92 78.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.29 -36.89 66.65 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 118.014 0.37 . . . . 0.0 111.873 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 72.2 tttt -63.95 -62.46 1.62 Allowed 'General case' 0 C--N 1.34 0.167 0 C-N-CA 124.377 1.071 . . . . 0.0 109.846 179.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -59.2 -35.95 74.5 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-O 118.996 -0.526 . . . . 0.0 111.951 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 41.6 mmm -55.89 -36.04 67.2 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 119.355 0.98 . . . . 0.0 109.345 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.87 -8.91 55.05 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 124.929 1.252 . . . . 0.0 113.496 179.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -91.29 1.8 56.84 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.606 1.203 . . . . 0.0 110.7 178.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.06 48.48 3.09 Favored Glycine 0 C--N 1.338 0.659 0 C-N-CA 124.097 0.856 . . . . 0.0 114.382 178.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -132.55 159.0 40.71 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 123.314 0.645 . . . . 0.0 109.781 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.26 155.35 20.11 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 123.923 0.889 . . . . 0.0 110.877 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -55.75 -42.23 75.1 Favored 'General case' 0 N--CA 1.465 0.295 0 O-C-N 121.699 -0.626 . . . . 0.0 111.622 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -65.45 -27.7 68.7 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -82.61 -46.3 13.47 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 91.7 t -60.63 -55.6 23.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 125.009 1.324 . . . . 0.0 110.751 -179.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -58.86 -35.09 72.38 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-O 118.889 -0.577 . . . . 0.0 110.804 -179.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -65.68 -51.83 56.29 Favored 'General case' 0 N--CA 1.457 -0.117 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.31 -44.17 95.68 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.399 0.68 . . . . 0.0 111.601 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -58.87 -47.96 83.05 Favored 'General case' 0 C--N 1.34 0.156 0 CA-C-O 118.342 -0.837 . . . . 0.0 109.631 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -53.91 -50.32 66.66 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.415 1.086 . . . . 0.0 110.544 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 74.9 mt -59.07 -48.33 87.09 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 C-N-CA 124.194 0.997 . . . . 0.0 108.974 -179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.83 12.93 0.32 Allowed 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.157 1.783 . . . . 0.0 114.274 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 53.4 43.67 31.04 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 121.037 1.744 . . . . 0.0 109.172 -178.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 53.26 39.64 30.05 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 128.164 2.585 . . . . 0.0 112.235 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -104.53 122.86 46.45 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 178.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 29.6 t -59.2 -58.92 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.146 0 C-N-CA 124.71 1.204 . . . . 0.0 112.277 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -52.95 -42.9 65.91 Favored 'General case' 0 CA--C 1.522 -0.11 0 C-N-CA 124.272 1.029 . . . . 0.0 111.961 -176.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 62.9 t -72.84 -41.02 61.19 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 C-N-CA 125.281 1.433 . . . . 0.0 109.528 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.37 -30.6 71.31 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 119.172 0.896 . . . . 0.0 111.432 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 10.2 mtp180 -55.14 -48.66 73.37 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 118.591 0.632 . . . . 0.0 109.699 178.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 6.8 m -56.97 -42.47 80.24 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.043 1.337 . . . . 0.0 112.085 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 98.1 mt -60.89 -52.68 58.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 13.5 mt -61.78 -33.43 74.08 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-O 118.439 -0.791 . . . . 0.0 110.153 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.0 -47.78 83.27 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 119.557 1.072 . . . . 0.0 109.773 179.059 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.98 -47.07 69.57 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.006 0.922 . . . . 0.0 111.173 -179.376 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -69.29 -53.06 21.68 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 119.082 0.856 . . . . 0.0 110.995 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 23.0 t -87.34 51.19 2.16 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 126.049 1.74 . . . . 0.0 108.47 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.61 -65.29 2.7 Favored Glycine 0 CA--C 1.528 0.861 0 N-CA-C 106.267 -2.733 . . . . 0.0 106.267 178.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -87.23 151.4 8.04 Favored 'Trans proline' 0 CA--C 1.54 0.797 0 C-N-CA 123.889 3.06 . . . . 0.0 111.194 178.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 59.5 p -155.86 177.72 11.09 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 124.449 1.1 . . . . 0.0 109.843 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 69.0 m -78.52 -13.5 59.8 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 120.801 -1.187 . . . . 0.0 110.112 177.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.222 0 N-CA-C 107.622 -2.191 . . . . 0.0 107.622 -179.146 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.908 0 N-CA-C 109.968 -1.253 . . . . 0.0 109.968 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.8 m -148.72 159.55 44.02 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 118.589 1.195 . . . . 0.0 111.432 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.2 m -114.55 -173.09 2.23 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 128.243 2.617 . . . . 0.0 105.99 177.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.91 87.68 0.26 Allowed Glycine 0 C--N 1.331 0.277 0 N-CA-C 109.995 -1.242 . . . . 0.0 109.995 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.4 p -154.21 -135.01 0.05 OUTLIER 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 p -69.91 -179.37 1.84 Allowed 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 127.292 2.237 . . . . 0.0 111.288 179.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.79 -161.6 27.08 Favored Glycine 0 CA--C 1.527 0.829 0 C-N-CA 124.778 1.18 . . . . 0.0 112.162 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 62.1 m-20 -51.03 156.21 1.08 Allowed 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.194 1.398 . . . . 0.0 111.199 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.0 t -116.03 -52.73 4.62 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 C-N-CA 123.183 0.593 . . . . 0.0 110.814 -179.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -57.14 -41.11 78.51 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 119.613 1.097 . . . . 0.0 112.131 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.3 -34.76 77.21 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 122.895 0.478 . . . . 0.0 110.46 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -72.42 -40.1 67.37 Favored 'General case' 0 CA--C 1.516 -0.337 0 O-C-N 121.615 -0.678 . . . . 0.0 109.479 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 79.1 mt -60.48 -50.02 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 106.53 -1.655 . . . . 0.0 106.53 178.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.97 -40.27 69.84 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 122.691 0.396 . . . . 0.0 109.979 179.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.8 tptt -57.79 -60.98 2.87 Favored 'General case' 0 C--N 1.341 0.219 0 C-N-CA 124.57 1.148 . . . . 0.0 110.951 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.28 -34.46 77.72 Favored 'General case' 0 C--O 1.226 -0.141 0 CA-C-N 118.377 0.535 . . . . 0.0 111.249 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 91.0 mtp -61.02 -32.58 72.18 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 107.629 -1.248 . . . . 0.0 107.629 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.08 -10.26 64.97 Favored Glycine 0 CA--C 1.532 1.098 0 C-N-CA 125.607 1.575 . . . . 0.0 112.405 178.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -86.61 -11.43 51.45 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 118.796 1.298 . . . . 0.0 109.231 178.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.3 23.15 8.63 Favored Glycine 0 C--N 1.34 0.763 0 CA-C-O 118.274 -1.292 . . . . 0.0 113.763 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -106.23 154.36 20.83 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 119.363 1.582 . . . . 0.0 111.77 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.07 145.08 38.11 Favored 'General case' 0 C--N 1.343 0.301 0 C-N-CA 123.623 0.769 . . . . 0.0 111.431 -178.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -53.17 -40.02 64.02 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -178.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -64.99 -17.08 64.12 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -97.05 -34.4 11.18 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 124.744 1.218 . . . . 0.0 108.24 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 68.0 t -67.54 -56.58 12.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 C-N-CA 124.285 1.034 . . . . 0.0 112.336 -178.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.1 ttpt -56.1 -34.46 66.05 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 118.531 0.605 . . . . 0.0 109.684 -179.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -67.23 -47.95 69.26 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 124.859 1.264 . . . . 0.0 109.1 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.17 -44.72 94.8 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 118.307 0.503 . . . . 0.0 110.517 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.47 -22.61 64.56 Favored 'General case' 0 C--N 1.341 0.2 0 CA-C-O 118.169 -0.919 . . . . 0.0 111.51 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -71.75 -55.88 6.81 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 107.035 -1.469 . . . . 0.0 107.035 177.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.5 mt -58.18 -51.01 76.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 C-N-CA 124.784 1.233 . . . . 0.0 109.613 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.54 7.67 0.44 Allowed 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 126.433 1.893 . . . . 0.0 114.531 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 50.24 49.79 19.88 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 122.603 1.192 . . . . 0.0 110.352 -179.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.3 m120 56.81 31.84 20.25 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 128.732 2.813 . . . . 0.0 113.782 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -109.25 118.75 37.53 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 120.669 1.577 . . . . 0.0 110.515 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.4 t -62.76 -41.73 93.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 123.903 0.881 . . . . 0.0 112.126 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -62.17 -30.26 70.93 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -177.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.8 t -86.78 -47.7 15.97 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 C-N-CA 124.448 1.099 . . . . 0.0 109.1 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.61 -32.41 58.78 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.61 1.164 . . . . 0.0 111.479 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 31.9 mtt-85 -54.94 -43.98 73.89 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.186 0.994 . . . . 0.0 110.51 178.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.8 m -71.19 -37.96 72.12 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 118.075 -0.964 . . . . 0.0 111.758 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.7 mt -56.96 -44.31 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-O 122.371 1.081 . . . . 0.0 109.137 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 79.4 mt -69.97 -22.67 63.13 Favored 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 120.998 -1.064 . . . . 0.0 112.903 -178.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 35.9 mtp-105 -72.25 -35.81 68.9 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 119.57 1.077 . . . . 0.0 108.729 178.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -77.89 -33.48 51.97 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-O 118.956 -0.545 . . . . 0.0 111.426 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -83.49 -52.22 6.68 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 119.383 0.992 . . . . 0.0 113.1 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.47 -9.28 58.51 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 -178.086 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 64.04 176.95 4.61 Favored Glycine 0 CA--C 1.53 1.007 0 C-N-CA 123.703 0.668 . . . . 0.0 112.423 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -72.82 122.58 8.29 Favored 'Trans proline' 0 N--CA 1.452 -0.921 0 N-CA-C 105.934 -2.371 . . . . 0.0 105.934 178.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 t -126.52 176.16 7.38 Favored 'General case' 0 C--O 1.239 0.509 0 C-N-CA 123.696 0.799 . . . . 0.0 110.301 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.2 m -122.13 164.59 17.5 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 124.513 1.125 . . . . 0.0 109.71 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.126 0 CA-C-O 116.631 -2.205 . . . . 0.0 110.321 -179.919 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.823 0 N-CA-C 109.242 -1.543 . . . . 0.0 109.242 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -148.2 135.57 20.51 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 106.007 -1.849 . . . . 0.0 106.007 178.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 48.9 m -71.88 171.29 12.0 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 178.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.37 47.19 1.07 Allowed Glycine 0 CA--C 1.521 0.41 0 CA-C-O 118.218 -1.323 . . . . 0.0 111.666 -178.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 67.0 p -117.31 -77.03 0.57 Allowed 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 118.028 0.914 . . . . 0.0 110.749 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 79.0 p -133.19 174.39 10.43 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 124.411 1.085 . . . . 0.0 112.035 -179.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.72 -164.36 35.16 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 127.333 2.397 . . . . 0.0 108.998 -179.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -72.44 173.95 8.08 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 178.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 17.9 t -115.65 -42.9 3.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-N 119.849 1.204 . . . . 0.0 112.102 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -59.58 -44.83 93.2 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 121.105 -0.997 . . . . 0.0 110.776 -179.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.62 -19.81 58.96 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.369 0.667 . . . . 0.0 111.921 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -91.13 -39.96 11.86 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.391 1.077 . . . . 0.0 109.128 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 73.6 mt -59.81 -52.13 64.73 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 N-CA-C 105.192 -2.151 . . . . 0.0 105.192 178.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.41 -15.27 57.1 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.627 0.771 . . . . 0.0 112.868 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 34.3 tptt -78.96 -62.03 1.83 Allowed 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 178.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.22 -36.71 78.31 Favored 'General case' 0 C--O 1.226 -0.135 0 C-N-CA 124.698 1.199 . . . . 0.0 111.831 -178.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 89.4 mtp -59.89 -23.52 63.53 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 119.421 1.01 . . . . 0.0 112.771 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -77.5 -19.54 76.09 Favored Glycine 0 CA--C 1.526 0.773 0 CA-C-O 119.236 -0.758 . . . . 0.0 111.464 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -73.66 -4.43 34.24 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 118.592 1.196 . . . . 0.0 111.526 179.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.49 -17.14 21.36 Favored Glycine 0 CA--C 1.523 0.564 0 C-N-CA 127.309 2.385 . . . . 0.0 115.824 177.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -68.06 146.89 53.07 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 -177.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.65 155.92 37.26 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 125.733 1.613 . . . . 0.0 111.88 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -57.0 -41.88 79.28 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 123.843 0.857 . . . . 0.0 111.329 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -63.76 -23.72 67.48 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.275 0.63 . . . . 0.0 111.781 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -91.85 -41.79 10.43 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 85.7 t -64.99 -54.94 23.57 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.23 0 O-C-N 120.986 -1.071 . . . . 0.0 113.287 -178.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt -56.13 -34.2 65.89 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 119.98 -0.688 . . . . 0.0 110.275 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -64.9 -55.39 19.6 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 107.278 -1.378 . . . . 0.0 107.278 178.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.12 -47.93 68.25 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.355 1.062 . . . . 0.0 111.446 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.47 -36.61 84.33 Favored 'General case' 0 C--O 1.225 -0.229 0 CA-C-O 117.994 -1.003 . . . . 0.0 111.312 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -62.7 -47.95 81.4 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 120.031 1.287 . . . . 0.0 110.094 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 18.7 mt -63.86 -44.19 98.03 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 124.592 1.157 . . . . 0.0 109.907 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.62 10.26 0.89 Allowed 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.22 1.808 . . . . 0.0 114.285 -179.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 52.77 42.5 31.82 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 120.923 1.692 . . . . 0.0 108.888 -177.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 28.1 m120 59.95 17.83 6.98 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 129.377 3.071 . . . . 0.0 112.066 -178.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 42.7 t-20 -89.46 118.76 29.34 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 121.915 2.143 . . . . 0.0 112.133 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 25.4 t -58.77 -44.02 89.27 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 C-N-CA 125.185 1.394 . . . . 0.0 110.632 179.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -53.28 -43.4 67.45 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 124.479 1.112 . . . . 0.0 110.797 -178.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 39.2 t -83.37 -38.52 14.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-O 118.843 -0.599 . . . . 0.0 110.835 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.2 -29.23 45.29 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 119.316 0.962 . . . . 0.0 111.483 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 32.7 mtt180 -60.13 -47.29 86.53 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-O 118.788 -0.625 . . . . 0.0 109.665 178.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 4.9 m -59.45 -32.85 70.6 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.648 1.179 . . . . 0.0 112.286 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 60.7 mt -73.36 -51.44 25.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 125.72 1.608 . . . . 0.0 109.23 -179.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 20.1 mt -63.83 -29.0 70.24 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 120.705 -1.247 . . . . 0.0 109.941 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.68 -23.92 67.41 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 117.557 -1.211 . . . . 0.0 110.224 177.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -94.96 -47.93 6.21 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 119.981 1.264 . . . . 0.0 110.829 178.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -63.09 -50.61 69.89 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 -178.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 8.0 t -93.01 -36.38 12.76 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 123.315 0.646 . . . . 0.0 111.889 -178.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.9 -165.91 51.45 Favored Glycine 0 CA--C 1.537 1.428 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 -178.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -64.79 165.02 22.26 Favored 'Trans proline' 0 CA--C 1.539 0.77 0 C-N-CA 123.411 2.741 . . . . 0.0 111.8 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 2.9 t -157.94 -173.48 4.38 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.244 1.018 . . . . 0.0 109.188 179.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 42.0 m -139.78 102.44 4.43 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 126.062 1.745 . . . . 0.0 108.896 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.299 0 CA-C-O 117.391 -1.783 . . . . 0.0 110.487 179.838 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.643 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.5 m -133.4 174.58 10.26 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 126.222 1.809 . . . . 0.0 107.563 178.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.9 m -139.02 -168.55 2.45 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.039 1.336 . . . . 0.0 108.671 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.77 -17.06 52.49 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 120.094 -1.628 . . . . 0.0 114.03 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.1 m -143.99 158.32 43.78 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 130.618 3.567 . . . . 0.0 103.804 178.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.4 t -160.21 -160.27 0.77 Allowed 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 119.48 1.036 . . . . 0.0 109.903 -177.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.77 -94.3 1.1 Allowed Glycine 0 CA--C 1.528 0.871 0 C-N-CA 126.824 2.154 . . . . 0.0 108.796 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -20.01 96.28 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 129.51 3.124 . . . . 0.0 113.429 -179.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.7 p -80.78 -37.98 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 CA-C-N 118.583 0.629 . . . . 0.0 111.939 -179.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -56.03 -37.77 69.66 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 121.381 -0.824 . . . . 0.0 111.9 -178.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.22 -45.82 89.89 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.3 mttp -62.06 -40.87 97.25 Favored 'General case' 0 C--O 1.225 -0.205 0 C-N-CA 124.231 1.012 . . . . 0.0 110.457 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 89.0 mt -59.33 -55.77 21.52 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.26 -38.62 66.01 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 122.343 -0.223 . . . . 0.0 111.581 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.5 tttm -55.38 -63.35 1.19 Allowed 'General case' 0 C--N 1.343 0.321 0 C-N-CA 124.656 1.183 . . . . 0.0 110.579 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.39 -34.28 76.41 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 118.024 -0.989 . . . . 0.0 112.887 -179.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 98.2 mtp -57.63 -25.66 60.44 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 119.66 1.118 . . . . 0.0 110.052 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.07 -15.66 72.18 Favored Glycine 0 CA--C 1.53 1.029 0 C-N-CA 125.099 1.333 . . . . 0.0 113.139 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -85.45 -10.03 56.7 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.359 1.579 . . . . 0.0 111.624 178.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.69 55.26 0.79 Allowed Glycine 0 C--N 1.337 0.587 0 C-N-CA 123.711 0.672 . . . . 0.0 111.796 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -139.97 147.03 39.89 Favored 'General case' 0 C--O 1.242 0.682 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 178.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.15 161.1 27.61 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 124.035 0.934 . . . . 0.0 111.365 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -52.03 -47.94 64.77 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 125.111 1.365 . . . . 0.0 112.872 -179.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -61.13 -47.1 87.8 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -178.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -57.59 -49.38 76.61 Favored 'General case' 0 CA--C 1.52 -0.201 0 C-N-CA 125.376 1.47 . . . . 0.0 110.059 -178.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.1 t -63.48 -46.92 93.87 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 C-N-CA 123.642 0.777 . . . . 0.0 110.105 -179.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.6 mtpt -56.9 -41.52 78.23 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 178.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -64.16 -47.89 78.09 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.08 -46.64 88.89 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 118.588 -0.72 . . . . 0.0 111.261 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -63.02 -33.0 74.49 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 120.418 1.463 . . . . 0.0 110.319 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -64.92 -49.09 71.78 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 119.814 1.188 . . . . 0.0 108.823 178.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.4 mt -69.86 -32.89 53.48 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 C-N-CA 125.105 1.362 . . . . 0.0 111.545 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.25 13.75 4.03 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 127.592 2.357 . . . . 0.0 114.844 -178.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 54.69 38.74 30.57 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 120.75 1.614 . . . . 0.0 110.118 -178.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.2 t30 56.35 39.42 30.11 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.39 1.876 . . . . 0.0 111.783 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -117.64 120.66 38.7 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 125.04 1.336 . . . . 0.0 111.938 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.5 t -61.42 -43.81 97.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 C-N-CA 124.259 1.024 . . . . 0.0 111.204 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -56.71 -28.39 60.87 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 124.57 1.148 . . . . 0.0 112.547 -177.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.8 t -98.63 -42.75 11.34 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.8 -34.88 55.65 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 118.978 0.808 . . . . 0.0 110.749 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -55.17 -53.2 58.93 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 125.706 1.602 . . . . 0.0 109.221 178.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.4 m -68.48 -25.88 65.2 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.126 0.97 . . . . 0.0 113.159 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 91.0 mt -67.4 -58.5 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 N-CA-C 106.589 -1.634 . . . . 0.0 106.589 178.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.3 mt -55.58 -36.03 66.43 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 125.31 1.444 . . . . 0.0 110.167 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.43 -38.58 74.61 Favored 'General case' 0 CA--C 1.527 0.095 0 CA-C-O 119.127 -0.463 . . . . 0.0 111.334 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -100.23 -21.79 15.37 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 118.405 -0.807 . . . . 0.0 112.787 -179.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -73.94 -52.65 12.19 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 120.093 1.315 . . . . 0.0 107.642 178.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.82 -34.68 57.89 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 124.362 1.065 . . . . 0.0 108.892 179.418 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.18 -160.14 52.71 Favored Glycine 0 CA--C 1.534 1.254 0 N-CA-C 109.992 -1.243 . . . . 0.0 109.992 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -70.33 167.92 23.78 Favored 'Trans proline' 0 CA--C 1.538 0.706 0 C-N-CA 123.021 2.481 . . . . 0.0 109.186 178.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 69.5 m -158.01 161.18 38.08 Favored 'General case' 0 C--O 1.235 0.305 0 O-C-N 120.662 -1.274 . . . . 0.0 110.798 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.9 m -68.36 175.31 3.41 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 124.213 1.005 . . . . 0.0 112.431 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.758 0 N-CA-C 107.168 -2.373 . . . . 0.0 107.168 179.322 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.973 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 73.7 m -137.93 170.4 16.11 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 124.62 1.168 . . . . 0.0 110.302 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 70.8 m -135.96 179.62 6.23 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 125.561 1.544 . . . . 0.0 109.024 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.91 -94.91 2.03 Favored Glycine 0 N--CA 1.449 -0.44 0 N-CA-C 110.338 -1.105 . . . . 0.0 110.338 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 24.1 m -84.09 155.48 22.63 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 117.881 0.841 . . . . 0.0 111.304 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 3.3 t -152.59 171.78 17.62 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.525 1.53 . . . . 0.0 107.776 178.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.97 -46.08 4.0 Favored Glycine 0 CA--C 1.525 0.673 0 CA-C-O 118.892 -0.949 . . . . 0.0 115.099 -178.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.98 137.13 58.25 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 118.896 1.348 . . . . 0.0 112.309 -178.14 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 7.7 p -112.07 -47.62 5.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 C-N-CA 124.17 0.988 . . . . 0.0 113.147 -179.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -54.12 -37.43 64.33 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 120.779 -1.201 . . . . 0.0 113.713 -178.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.0 -25.58 66.99 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.483 0.713 . . . . 0.0 112.198 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 20.0 mttp -83.59 -39.71 19.99 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 178.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 91.3 mt -58.31 -53.69 42.84 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 N-CA-C 106.917 -1.512 . . . . 0.0 106.917 178.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.58 -33.12 63.63 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 123.147 0.579 . . . . 0.0 112.32 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -64.55 -64.62 0.83 Allowed 'General case' 0 C--N 1.341 0.211 0 C-N-CA 124.537 1.135 . . . . 0.0 108.834 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.37 -37.39 75.14 Favored 'General case' 0 C--N 1.341 0.228 0 CA-C-N 118.634 0.652 . . . . 0.0 111.296 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 80.4 mtp -59.91 -25.74 65.37 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 119.197 0.908 . . . . 0.0 110.004 178.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -82.05 -7.68 87.53 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 124.606 1.098 . . . . 0.0 112.542 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -92.25 -3.53 55.37 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.416 -1.049 . . . . 0.0 110.965 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.78 62.53 1.07 Allowed Glycine 0 C--N 1.341 0.844 0 C-N-CA 124.652 1.12 . . . . 0.0 113.747 178.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -146.76 148.06 31.56 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 125.334 1.454 . . . . 0.0 108.307 178.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.5 156.08 39.4 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-O 120.976 0.417 . . . . 0.0 111.432 -178.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -55.77 -42.04 74.92 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -178.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -68.83 -34.34 75.33 Favored 'General case' 0 CA--C 1.528 0.121 0 CA-C-N 118.808 0.731 . . . . 0.0 111.251 -178.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -67.11 -44.6 79.52 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 123.809 0.844 . . . . 0.0 109.037 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 84.3 t -62.24 -53.85 42.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 124.157 0.983 . . . . 0.0 111.141 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -56.15 -38.42 70.83 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 118.136 0.425 . . . . 0.0 110.655 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -64.18 -53.61 46.66 Favored 'General case' 0 CA--C 1.52 -0.179 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.3 -45.58 84.03 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 123.711 0.804 . . . . 0.0 112.129 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.15 -39.34 89.75 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-O 117.213 -1.375 . . . . 0.0 110.4 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -57.65 -51.58 68.92 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 119.78 1.173 . . . . 0.0 109.333 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 66.5 mt -61.8 -47.46 93.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 C-N-CA 125.117 1.367 . . . . 0.0 109.467 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.79 9.76 0.25 Allowed 'General case' 0 C--O 1.234 0.285 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 -179.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 55.65 42.44 29.44 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 120.297 1.408 . . . . 0.0 108.215 -178.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 58.6 t30 44.71 55.03 6.21 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 128.76 2.824 . . . . 0.0 111.87 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 -128.15 117.73 22.11 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.872 1.669 . . . . 0.0 108.518 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 84.0 t -63.58 -36.04 74.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 O-C-N 121.189 -0.945 . . . . 0.0 110.578 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -56.27 -31.18 63.37 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 124.574 1.15 . . . . 0.0 111.629 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 49.2 t -99.11 -41.62 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.692 0 C-N-CA 124.018 0.927 . . . . 0.0 110.559 -178.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.65 -33.25 68.11 Favored 'General case' 0 N--CA 1.463 0.214 0 O-C-N 121.247 -0.908 . . . . 0.0 111.7 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 15.5 ttm180 -58.77 -42.16 88.28 Favored 'General case' 0 C--N 1.341 0.231 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 46.9 m -71.22 -33.31 69.76 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.639 -0.663 . . . . 0.0 111.091 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 55.9 mt -63.81 -57.84 9.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 29.5 mt -57.82 -34.48 69.71 Favored 'General case' 0 C--O 1.231 0.1 0 C-N-CA 123.301 0.641 . . . . 0.0 111.203 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -58.45 -48.17 81.59 Favored 'General case' 0 C--O 1.226 -0.169 0 C-N-CA 122.957 0.503 . . . . 0.0 109.875 179.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -80.24 -30.59 38.53 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -179.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -69.57 -53.03 20.88 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-N 119.064 0.847 . . . . 0.0 111.407 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 23.3 t -86.92 -28.99 22.44 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 118.378 -0.82 . . . . 0.0 112.742 -178.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.36 -159.98 32.77 Favored Glycine 0 CA--C 1.535 1.285 0 N-CA-C 109.825 -1.31 . . . . 0.0 109.825 -178.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -69.87 167.59 24.16 Favored 'Trans proline' 0 N--CA 1.455 -0.776 0 C-N-CA 121.805 1.67 . . . . 0.0 108.859 178.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 53.2 m -149.0 141.74 24.54 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 107.297 -1.372 . . . . 0.0 107.297 179.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 73.9 m -56.46 149.12 17.64 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 122.077 0.941 . . . . 0.0 112.846 -179.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.502 -0.78 0 N-CA-C 103.411 -3.876 . . . . 0.0 103.411 179.815 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.793 0 N-CA-C 112.138 -0.385 . . . . 0.0 112.138 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.12 -43.89 64.02 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.826 0.85 . . . . 0.0 110.293 179.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 p -81.26 161.85 23.76 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.628 0.771 . . . . 0.0 111.042 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.97 -167.66 12.77 Favored Glycine 0 CA--C 1.53 1.022 0 C-N-CA 126.351 1.929 . . . . 0.0 109.704 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 p -72.48 -8.27 54.25 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 117.673 0.737 . . . . 0.0 112.447 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 p -111.97 154.14 25.73 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.301 1.84 . . . . 0.0 109.075 179.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.32 166.32 10.58 Favored Glycine 0 CA--C 1.526 0.758 0 C-N-CA 124.759 1.171 . . . . 0.0 111.685 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -57.41 149.97 19.52 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.219 1.008 . . . . 0.0 110.028 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.7 t -79.24 -52.09 15.66 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 C-N-CA 127.696 2.398 . . . . 0.0 111.34 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -56.46 -35.32 67.79 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 124.42 1.088 . . . . 0.0 113.928 -177.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.15 -25.34 67.7 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 122.343 0.257 . . . . 0.0 110.464 178.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 42.1 mttp -77.64 -44.84 26.87 Favored 'General case' 0 CA--C 1.518 -0.261 0 C-N-CA 124.094 0.957 . . . . 0.0 108.631 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 94.7 mt -54.45 -59.07 2.44 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.33 -38.88 66.51 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 112.4 0.518 . . . . 0.0 112.4 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.6 tttt -57.14 -53.75 54.56 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 121.51 -0.744 . . . . 0.0 110.725 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -71.07 -34.67 71.41 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 118.463 -0.779 . . . . 0.0 111.028 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 92.2 mtp -59.9 -33.92 72.49 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 120.017 1.281 . . . . 0.0 109.404 178.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.07 -25.93 60.41 Favored Glycine 0 CA--C 1.53 1.009 0 CA-C-O 119.395 -0.669 . . . . 0.0 111.72 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -63.79 -25.41 68.17 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 119.243 1.521 . . . . 0.0 110.955 178.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 122.69 -5.29 9.89 Favored Glycine 0 CA--C 1.529 0.963 0 C-N-CA 125.654 1.597 . . . . 0.0 111.434 -178.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -73.36 155.8 39.01 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 118.914 1.357 . . . . 0.0 110.789 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.91 162.82 16.69 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.974 0.909 . . . . 0.0 111.775 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -57.95 -41.97 83.93 Favored 'General case' 0 C--O 1.238 0.461 0 O-C-N 121.217 -0.927 . . . . 0.0 112.307 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -60.87 -21.49 63.34 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.692 0.797 . . . . 0.0 112.26 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -91.41 -50.84 5.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 122.422 1.106 . . . . 0.0 110.077 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 94.3 t -62.43 -56.63 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 C-N-CA 125.175 1.39 . . . . 0.0 114.119 -177.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -56.5 -32.62 65.2 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 118.531 0.605 . . . . 0.0 111.264 -178.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 27.8 tpt180 -72.28 -54.72 8.71 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.86 -41.54 70.92 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.394 0.678 . . . . 0.0 111.611 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -63.06 -37.98 89.37 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-O 116.859 -1.543 . . . . 0.0 109.636 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -66.05 -49.38 67.86 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 120.791 1.632 . . . . 0.0 110.48 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 68.0 mt -56.63 -40.15 67.44 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.77 7.46 4.68 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.932 1.693 . . . . 0.0 113.344 179.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 54.4 46.44 25.04 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 120.847 1.658 . . . . 0.0 108.774 -177.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 31.4 m120 53.91 35.38 21.67 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 128.738 2.815 . . . . 0.0 111.366 -178.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -102.38 117.01 33.81 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 178.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.2 t -60.46 -48.23 89.28 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-O 118.876 -0.583 . . . . 0.0 112.461 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -55.54 -52.6 63.18 Favored 'General case' 0 C--N 1.332 -0.162 0 O-C-N 123.557 0.536 . . . . 0.0 110.073 -177.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.7 t -64.63 -39.62 86.25 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 CA-C-O 119.048 -0.501 . . . . 0.0 110.222 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.86 -31.82 65.19 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 119.001 0.819 . . . . 0.0 110.617 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -56.97 -51.86 67.52 Favored 'General case' 0 C--N 1.345 0.376 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 178.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.6 m -60.84 -33.65 73.37 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.942 1.297 . . . . 0.0 112.597 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 60.1 mt -70.87 -49.35 50.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 C-N-CA 125.01 1.324 . . . . 0.0 109.112 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 18.0 mt -63.12 -31.98 73.26 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.481 0.712 . . . . 0.0 109.109 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 -65.98 -19.1 65.75 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-O 117.957 -1.021 . . . . 0.0 111.078 178.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -98.04 -41.89 7.75 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 119.802 1.183 . . . . 0.0 110.21 178.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -69.05 -34.35 75.04 Favored 'General case' 0 C--N 1.34 0.167 0 O-C-N 123.7 0.625 . . . . 0.0 110.835 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.7 t -113.41 -70.57 0.8 Allowed 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 124.133 0.973 . . . . 0.0 110.883 -179.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 128.89 -161.04 22.49 Favored Glycine 0 CA--C 1.528 0.853 0 CA-C-N 119.53 1.059 . . . . 0.0 110.904 -179.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -70.62 165.49 31.78 Favored 'Trans proline' 0 CA--C 1.534 0.501 0 C-N-CA 123.148 2.565 . . . . 0.0 110.306 178.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.0 m -99.82 172.26 7.36 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.32 1.048 . . . . 0.0 110.167 179.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 p -146.7 150.83 36.16 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 125.916 1.686 . . . . 0.0 107.69 178.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.13 0 N-CA-C 109.551 -1.419 . . . . 0.0 109.551 -179.614 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.982 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.4 p -73.4 -28.44 62.01 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 124.093 0.957 . . . . 0.0 111.236 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 93.3 p -116.09 179.69 3.92 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 126.103 1.761 . . . . 0.0 108.195 178.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.52 -176.03 46.17 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 52.6 p -76.9 39.49 0.23 Allowed 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.56 1.544 . . . . 0.0 111.642 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 1.2 p -155.42 127.9 7.85 Favored 'General case' 0 N--CA 1.453 -0.3 0 O-C-N 119.97 -1.706 . . . . 0.0 108.186 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.47 -179.93 17.59 Favored Glycine 0 CA--C 1.525 0.718 0 C-N-CA 125.12 1.343 . . . . 0.0 110.119 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -55.89 144.03 29.57 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 124.261 1.024 . . . . 0.0 112.143 -178.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 81.8 t -77.65 -45.24 28.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 178.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -50.2 -46.33 54.39 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 126.205 1.802 . . . . 0.0 112.012 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.1 -19.96 55.92 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.108 0.963 . . . . 0.0 112.181 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 45.3 mttp -90.35 -41.67 11.37 Favored 'General case' 0 CA--C 1.52 -0.191 0 C-N-CA 125.108 1.363 . . . . 0.0 108.609 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 14.0 mt -54.66 -59.02 2.57 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 178.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.0 -38.81 76.82 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 122.13 -0.356 . . . . 0.0 111.475 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -59.25 -55.13 38.79 Favored 'General case' 0 C--N 1.339 0.129 0 O-C-N 121.409 -0.807 . . . . 0.0 110.022 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -65.03 -38.13 89.88 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 117.955 -1.022 . . . . 0.0 111.5 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 84.0 mtp -56.07 -40.66 73.93 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 119.668 1.122 . . . . 0.0 108.708 178.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.22 -16.01 59.55 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 124.571 1.081 . . . . 0.0 113.742 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -77.59 -15.23 59.36 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.474 1.637 . . . . 0.0 108.543 178.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.55 54.05 0.7 Allowed Glycine 0 C--N 1.34 0.76 0 C-N-CA 125.523 1.535 . . . . 0.0 112.713 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -136.87 160.52 38.63 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 125.383 1.473 . . . . 0.0 109.344 178.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.04 149.66 23.86 Favored 'General case' 0 C--N 1.343 0.32 0 CA-C-N 119.105 0.866 . . . . 0.0 109.625 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -52.85 -44.13 66.54 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 125.127 1.371 . . . . 0.0 114.434 -178.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -64.15 -26.27 68.45 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -177.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -84.36 -45.8 12.4 Favored 'General case' 0 C--O 1.226 -0.16 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 53.1 t -58.77 -47.71 88.32 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 C-N-CA 124.51 1.124 . . . . 0.0 110.308 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 8.5 ttpt -56.88 -39.14 73.81 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 119.212 -0.423 . . . . 0.0 109.882 179.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 -67.77 -49.7 61.03 Favored 'General case' 0 C--N 1.341 0.197 0 C-N-CA 123.844 0.857 . . . . 0.0 108.81 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.35 -44.4 72.14 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.594 1.157 . . . . 0.0 112.396 -178.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -70.66 -26.64 63.54 Favored 'General case' 0 N--CA 1.456 -0.128 0 CA-C-O 117.995 -1.002 . . . . 0.0 112.586 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -68.7 -51.35 42.56 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 106.143 -1.799 . . . . 0.0 106.143 178.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 68.5 mt -58.54 -49.32 82.77 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 C-N-CA 125.015 1.326 . . . . 0.0 108.768 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.2 3.59 1.16 Allowed 'General case' 0 C--O 1.235 0.298 0 C-N-CA 125.438 1.495 . . . . 0.0 114.233 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 51.89 44.99 28.98 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 122.93 1.347 . . . . 0.0 108.56 -178.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 8.8 m120 59.2 21.29 9.39 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 130.584 3.554 . . . . 0.0 113.436 -179.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -91.73 111.43 22.95 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 121.521 1.964 . . . . 0.0 110.431 179.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 22.0 t -53.85 -46.27 63.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 C-N-CA 124.372 1.069 . . . . 0.0 111.332 179.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -54.83 -36.29 64.85 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.878 0.871 . . . . 0.0 112.401 -177.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 41.5 t -84.37 -41.27 16.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 C-N-CA 123.406 0.682 . . . . 0.0 109.946 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.3 -33.32 63.17 Favored 'General case' 0 CA--C 1.531 0.233 0 O-C-N 121.734 -0.603 . . . . 0.0 112.41 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 35.9 mtp-105 -60.3 -44.99 94.91 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 118.654 -0.689 . . . . 0.0 109.624 179.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 51.3 m -70.5 -31.68 68.88 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 118.546 0.612 . . . . 0.0 110.539 179.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 62.1 mt -62.88 -54.93 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-N 119.571 1.078 . . . . 0.0 108.622 178.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 18.6 mt -60.77 -28.33 68.65 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 124.297 1.039 . . . . 0.0 110.767 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -67.5 -18.19 64.96 Favored 'General case' 0 N--CA 1.464 0.25 0 O-C-N 121.67 -0.644 . . . . 0.0 112.105 179.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -97.98 -37.67 9.69 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 178.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -67.39 -52.21 42.71 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.591 0.632 . . . . 0.0 109.742 178.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 41.9 t -89.02 -76.94 0.39 Allowed 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.842 1.257 . . . . 0.0 110.009 -179.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 131.46 -156.19 21.72 Favored Glycine 0 CA--C 1.532 1.128 0 N-CA-C 108.008 -2.037 . . . . 0.0 108.008 -178.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -70.78 172.83 12.87 Favored 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 123.219 2.612 . . . . 0.0 111.484 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 21.4 m -100.31 156.7 17.09 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 124.997 1.319 . . . . 0.0 107.574 178.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 4.4 p -141.84 76.04 1.52 Allowed 'General case' 0 C--O 1.235 0.321 0 CA-C-N 119.462 1.028 . . . . 0.0 110.635 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 N-CA-C 105.968 -2.853 . . . . 0.0 105.968 179.239 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.629 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.6 m -146.49 139.0 25.16 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 106.25 -1.759 . . . . 0.0 106.25 179.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.0 p -124.03 115.54 21.37 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 107.54 -1.282 . . . . 0.0 107.54 179.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.61 -51.6 57.92 Favored Glycine 0 CA--C 1.527 0.833 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.7 t -152.27 -176.53 5.72 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 125.069 1.347 . . . . 0.0 110.202 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 p -134.01 -4.52 2.78 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 127.604 2.361 . . . . 0.0 111.03 179.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.27 -23.54 4.59 Favored Glycine 0 CA--C 1.528 0.845 0 CA-C-O 117.819 -1.545 . . . . 0.0 116.51 178.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -75.51 138.31 41.47 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 120.019 1.909 . . . . 0.0 108.62 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.6 p -116.15 -35.17 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-N 120.119 1.327 . . . . 0.0 110.134 178.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -62.86 -34.7 77.9 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 120.157 -1.59 . . . . 0.0 111.188 -179.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.6 -15.21 62.73 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.537 1.135 . . . . 0.0 111.543 178.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 41.9 mttp -94.56 -43.06 8.5 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 125.455 1.502 . . . . 0.0 109.183 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.0 mt -57.16 -58.18 6.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.2 -27.31 63.77 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.7 tttp -70.06 -57.29 5.14 Favored 'General case' 0 C--O 1.225 -0.22 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 179.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.07 -36.96 78.5 Favored 'General case' 0 C--O 1.224 -0.284 0 CA-C-O 118.179 -0.915 . . . . 0.0 111.483 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 83.3 mtp -56.59 -39.54 73.71 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 119.963 1.256 . . . . 0.0 108.394 178.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.25 -9.71 55.16 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 125.609 1.576 . . . . 0.0 113.948 179.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -89.6 0.33 57.01 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 118.913 1.356 . . . . 0.0 108.482 177.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.61 53.2 1.86 Allowed Glycine 0 C--N 1.34 0.79 0 C-N-CA 126.75 2.119 . . . . 0.0 112.935 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -137.11 158.46 44.39 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 118.126 0.963 . . . . 0.0 110.099 179.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.65 149.02 23.74 Favored 'General case' 0 C--N 1.338 0.096 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -50.06 -39.19 41.35 Favored 'General case' 0 C--O 1.224 -0.274 0 C-N-CA 124.516 1.127 . . . . 0.0 112.358 -179.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -59.93 -48.43 81.72 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 124.227 1.011 . . . . 0.0 112.205 -178.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -71.02 -38.54 72.62 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 125.362 1.465 . . . . 0.0 109.277 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 67.5 t -65.68 -46.02 90.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 124.57 1.148 . . . . 0.0 110.423 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -58.99 -40.62 85.4 Favored 'General case' 0 CA--C 1.515 -0.379 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 27.3 tpt180 -66.85 -43.42 83.69 Favored 'General case' 0 N--CA 1.449 -0.493 0 O-C-N 124.195 0.934 . . . . 0.0 109.528 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.05 -49.87 75.97 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 123.298 0.639 . . . . 0.0 109.588 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -66.27 -26.75 67.49 Favored 'General case' 0 C--N 1.34 0.178 0 CA-C-O 117.838 -1.077 . . . . 0.0 111.161 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -69.13 -58.44 4.07 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 120.163 1.347 . . . . 0.0 107.611 178.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 65.4 mt -56.41 -44.89 81.3 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 124.67 1.188 . . . . 0.0 109.234 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.47 7.94 1.24 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.622 1.569 . . . . 0.0 114.553 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 51.43 44.37 29.01 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 120.827 1.649 . . . . 0.0 109.895 -178.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.3 m120 59.74 32.14 21.23 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 127.852 2.461 . . . . 0.0 112.709 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -102.94 115.56 30.84 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 120.209 1.368 . . . . 0.0 109.931 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.4 t -57.13 -45.2 84.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 C-N-CA 125.298 1.439 . . . . 0.0 111.877 179.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -56.34 -45.06 80.58 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 125.11 1.364 . . . . 0.0 111.757 -178.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 47.2 t -77.1 -42.17 31.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 C-N-CA 123.584 0.754 . . . . 0.0 110.263 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.57 -38.01 52.36 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.784 0.834 . . . . 0.0 112.033 -179.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -56.08 -51.0 69.44 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 118.311 0.505 . . . . 0.0 110.773 178.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.5 m -62.92 -29.24 70.63 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.198 0.999 . . . . 0.0 112.305 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 44.5 mt -68.78 -52.02 39.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 N-CA-C 107.826 -1.175 . . . . 0.0 107.826 179.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.9 mt -62.29 -34.71 77.11 Favored 'General case' 0 CA--C 1.521 -0.155 0 C-N-CA 123.904 0.882 . . . . 0.0 109.735 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 -65.61 -30.01 70.67 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 118.164 0.438 . . . . 0.0 110.119 178.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -77.47 -46.3 22.94 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 118.923 0.783 . . . . 0.0 108.947 178.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -64.74 -48.39 74.76 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 118.877 -0.583 . . . . 0.0 112.361 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 45.1 t -88.71 -77.36 0.37 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.31 1.844 . . . . 0.0 110.654 -179.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.82 -168.4 54.79 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 123.591 0.615 . . . . 0.0 112.408 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -67.31 118.01 5.26 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 123.351 2.7 . . . . 0.0 109.124 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.4 m -140.32 41.66 1.91 Allowed 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.279 1.031 . . . . 0.0 111.559 -179.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 55.2 m 44.78 70.55 0.33 Allowed 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.405 1.482 . . . . 0.0 113.487 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.936 0 N-CA-C 103.293 -3.923 . . . . 0.0 103.293 179.361 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.435 0 N-CA-C 109.646 -1.382 . . . . 0.0 109.646 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 59.5 m -144.77 137.42 26.44 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 106.243 -1.762 . . . . 0.0 106.243 178.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.85 122.87 2.3 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 105.495 -2.039 . . . . 0.0 105.495 -179.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.1 -77.87 1.01 Allowed Glycine 0 CA--C 1.52 0.393 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 10.8 t -56.58 157.74 5.02 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 125.489 1.516 . . . . 0.0 112.155 -179.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 54.7 p -152.54 1.31 0.31 Allowed 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.28 -37.19 1.13 Allowed Glycine 0 CA--C 1.535 1.316 0 O-C-N 120.281 -1.512 . . . . 0.0 114.429 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -68.58 123.36 20.63 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 179.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 8.9 p -113.85 -32.79 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 119.451 1.023 . . . . 0.0 111.072 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.26 -43.02 96.52 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 120.046 1.294 . . . . 0.0 108.648 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.79 -18.39 65.04 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.663 0.785 . . . . 0.0 112.747 178.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -88.44 -44.63 10.59 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 107.089 -1.449 . . . . 0.0 107.089 178.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 60.3 mt -56.57 -51.99 58.89 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 N-CA-C 106.576 -1.639 . . . . 0.0 106.576 178.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.31 -17.08 40.34 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 179.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 42.7 tttp -82.03 -58.79 2.81 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 178.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.13 -36.02 76.56 Favored 'General case' 0 C--N 1.342 0.282 0 CA-C-N 119.448 1.022 . . . . 0.0 111.813 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 95.5 mtp -61.88 -26.05 67.92 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.075 0.852 . . . . 0.0 109.563 178.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.31 -20.92 79.52 Favored Glycine 0 C--N 1.336 0.531 0 C-N-CA 125.583 1.563 . . . . 0.0 111.403 178.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -72.27 -26.78 62.12 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.476 1.138 . . . . 0.0 108.598 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.21 -7.38 6.74 Favored Glycine 0 CA--C 1.53 0.993 0 CA-C-O 118.254 -1.304 . . . . 0.0 115.548 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -76.15 163.76 26.77 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 119.6 1.7 . . . . 0.0 112.872 -178.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.65 158.92 25.49 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.509 1.523 . . . . 0.0 110.388 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -56.87 -46.16 82.0 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.537 1.135 . . . . 0.0 113.458 -178.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -61.99 -46.74 87.92 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 118.827 0.74 . . . . 0.0 111.782 -178.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -56.91 -46.62 81.84 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 125.933 1.693 . . . . 0.0 110.511 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 75.8 t -64.88 -52.26 56.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 C-N-CA 123.859 0.863 . . . . 0.0 110.7 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 4.3 mtpt -56.87 -36.78 70.46 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.35 -179.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -65.19 -49.4 69.9 Favored 'General case' 0 C--N 1.338 0.086 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.2 -43.83 83.11 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.229 0.612 . . . . 0.0 111.606 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.74 -37.78 87.32 Favored 'General case' 0 C--N 1.342 0.244 0 CA-C-O 117.673 -1.156 . . . . 0.0 111.301 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -61.12 -52.19 65.93 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 119.666 1.121 . . . . 0.0 109.016 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 70.0 mt -60.34 -50.35 80.63 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.99 4.37 0.67 Allowed 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 116.043 1.868 . . . . 0.0 116.043 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 55.6 46.42 22.86 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 120.317 1.417 . . . . 0.0 108.935 -177.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 49.88 62.4 2.67 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 128.018 2.527 . . . . 0.0 110.96 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -132.03 123.84 28.08 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 124.892 1.277 . . . . 0.0 109.23 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 52.9 t -67.4 -44.06 87.24 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.067 0 CA-C-N 118.274 0.488 . . . . 0.0 111.811 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -53.21 -56.3 17.51 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.351 1.061 . . . . 0.0 109.083 -178.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 43.8 t -68.43 -42.24 83.85 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 CA-C-O 118.941 -0.552 . . . . 0.0 111.066 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.91 -32.05 65.54 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 119.579 1.081 . . . . 0.0 111.411 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 48.8 ttm-85 -60.73 -50.78 72.11 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 178.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 3.5 m -61.1 -34.94 75.75 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 118.459 -0.782 . . . . 0.0 111.404 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 63.0 mt -66.18 -51.9 54.1 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 26.6 mt -60.02 -31.28 69.8 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 121.861 -0.525 . . . . 0.0 109.893 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -71.98 -12.53 61.28 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 117.987 -1.006 . . . . 0.0 112.28 179.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -93.24 -56.32 2.99 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 178.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -63.08 -53.0 60.48 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 122.963 0.505 . . . . 0.0 110.881 -178.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 9.5 t -82.0 -72.41 0.44 Allowed 'General case' 0 C--O 1.238 0.461 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.26 -159.67 51.47 Favored Glycine 0 CA--C 1.534 1.237 0 CA-C-O 118.909 -0.939 . . . . 0.0 110.872 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -71.97 122.79 8.77 Favored 'Trans proline' 0 CA--C 1.535 0.546 0 C-N-CA 123.072 2.515 . . . . 0.0 108.837 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 67.8 m -124.52 22.49 8.36 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.971 0.909 . . . . 0.0 112.637 -178.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 19.5 m 67.2 7.11 5.23 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 126.743 2.017 . . . . 0.0 113.509 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.172 0 N-CA-C 105.524 -3.031 . . . . 0.0 105.524 178.942 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.363 0 N-CA-C 109.904 -1.278 . . . . 0.0 109.904 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.5 119.76 33.9 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 125.099 1.36 . . . . 0.0 109.787 -179.019 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.5 m -151.45 115.45 4.97 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 123.943 0.897 . . . . 0.0 109.382 179.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.01 161.87 11.11 Favored Glycine 0 C--N 1.336 0.53 0 CA-C-N 118.524 0.602 . . . . 0.0 113.595 178.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.1 t -84.87 167.22 16.19 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 107.078 -1.453 . . . . 0.0 107.078 178.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.5 m -161.34 162.58 30.89 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 126.45 1.9 . . . . 0.0 106.689 178.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.53 159.48 11.42 Favored Glycine 0 CA--C 1.525 0.677 0 CA-C-O 122.796 1.22 . . . . 0.0 114.071 179.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -50.75 120.19 4.54 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 129.407 3.083 . . . . 0.0 111.836 -178.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.5 p -65.05 -35.74 76.17 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 C-N-CA 125.216 1.406 . . . . 0.0 111.488 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.03 -52.87 38.72 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 125.141 1.376 . . . . 0.0 111.253 -179.259 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.69 -33.21 69.9 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.951 0.9 . . . . 0.0 111.698 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 54.4 mttp -68.88 -45.45 70.95 Favored 'General case' 0 C--O 1.227 -0.099 0 N-CA-C 108.517 -0.919 . . . . 0.0 108.517 179.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 81.7 mt -60.63 -51.09 77.09 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 N-CA-C 107.259 -1.385 . . . . 0.0 107.259 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.74 -37.71 66.24 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 119.339 -0.363 . . . . 0.0 111.15 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -61.58 -56.87 15.18 Favored 'General case' 0 C--N 1.34 0.182 0 CA-C-O 118.485 -0.769 . . . . 0.0 110.222 179.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -58.27 -39.74 80.05 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.949 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 97.6 mtp -56.98 -36.87 70.85 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 119.914 1.234 . . . . 0.0 109.652 178.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.37 -11.49 52.78 Favored Glycine 0 CA--C 1.527 0.785 0 CA-C-O 118.62 -1.1 . . . . 0.0 112.824 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -95.18 -2.3 50.03 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.25 1.42 . . . . 0.0 109.577 178.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.0 68.66 1.14 Allowed Glycine 0 C--N 1.336 0.554 0 C-N-CA 126.182 1.849 . . . . 0.0 114.892 178.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -149.83 153.26 36.48 Favored 'General case' 0 C--O 1.239 0.544 0 C-N-CA 125.192 1.397 . . . . 0.0 107.93 178.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.11 148.99 39.24 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 122.312 0.245 . . . . 0.0 110.341 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -53.25 -38.46 63.01 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.058 0.943 . . . . 0.0 111.651 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -62.75 -53.21 57.79 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.779 1.632 . . . . 0.0 110.579 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -57.04 -48.39 78.63 Favored 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 125.68 1.592 . . . . 0.0 108.914 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 99.5 t -61.14 -47.14 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 C-N-CA 124.858 1.263 . . . . 0.0 110.087 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -56.64 -43.74 80.57 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -64.7 -50.55 66.52 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 119.447 -0.901 . . . . 0.0 109.261 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.25 -44.58 79.8 Favored 'General case' 0 N--CA 1.446 -0.635 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -65.06 -38.52 91.07 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 119.594 1.088 . . . . 0.0 109.842 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -62.34 -53.74 50.64 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 119.02 0.827 . . . . 0.0 109.386 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 64.6 mt -56.84 -44.75 82.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.39 4.67 1.63 Allowed 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.851 1.66 . . . . 0.0 113.735 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 50.49 47.64 23.76 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 123.157 1.456 . . . . 0.0 109.014 -177.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 52.42 54.68 10.27 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 130.993 3.717 . . . . 0.0 113.694 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -129.28 112.32 13.76 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 178.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.8 t -46.78 -49.53 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 C-N-CA 126.374 1.87 . . . . 0.0 112.025 -179.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -52.26 -40.15 61.35 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 124.826 1.25 . . . . 0.0 113.445 -178.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 42.6 t -86.94 -36.07 9.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 C-N-CA 123.771 0.828 . . . . 0.0 110.425 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.56 -35.37 70.26 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 118.686 0.676 . . . . 0.0 109.223 178.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 64.6 mtt180 -58.32 -53.7 55.38 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.414 1.086 . . . . 0.0 109.12 178.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.0 m -56.71 -43.87 81.0 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.551 1.54 . . . . 0.0 110.434 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 66.0 mt -62.31 -50.05 81.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 C-N-CA 124.229 1.012 . . . . 0.0 109.105 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 33.8 mt -62.15 -28.37 69.6 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.881 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.9 mmt85 -65.17 -41.79 94.3 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 119.803 1.183 . . . . 0.0 109.873 179.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -70.61 -39.32 73.84 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.431 0.559 . . . . 0.0 109.777 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -70.73 -52.82 18.42 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.978 0.808 . . . . 0.0 111.897 -179.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 34.3 t -100.12 78.5 2.08 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 126.727 2.011 . . . . 0.0 107.031 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -93.92 -78.71 1.42 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 108.567 -1.813 . . . . 0.0 108.567 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -67.26 127.85 17.4 Favored 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 123.056 2.504 . . . . 0.0 108.662 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.1 m -62.62 -23.24 66.96 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.7 m -117.49 119.06 33.91 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.316 0 N-CA-C 105.859 -2.896 . . . . 0.0 105.859 179.33 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.799 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 65.9 p -57.84 123.92 17.42 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.736 1.214 . . . . 0.0 112.89 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 32.9 m -170.61 174.55 5.0 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.987 2.115 . . . . 0.0 109.831 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.51 124.72 5.49 Favored Glycine 0 C--N 1.338 0.657 0 C-N-CA 126.448 1.975 . . . . 0.0 113.724 178.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.5 149.42 50.07 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 117.673 0.736 . . . . 0.0 109.687 178.551 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 5.7 m -147.72 147.02 29.48 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.325 1.05 . . . . 0.0 108.269 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.5 -178.45 16.6 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 124.002 0.811 . . . . 0.0 112.493 179.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -85.25 114.54 22.43 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 106.861 -1.533 . . . . 0.0 106.861 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 9.1 p -58.82 -27.87 36.23 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 CA-C-N 118.429 0.559 . . . . 0.0 110.47 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -58.34 -34.47 70.67 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 124.877 1.271 . . . . 0.0 110.607 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.69 -45.28 62.38 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 43.8 mttp -63.04 -39.43 94.72 Favored 'General case' 0 C--O 1.225 -0.225 0 C-N-CA 124.375 1.07 . . . . 0.0 109.939 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 38.0 mt -63.02 -58.12 9.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 N-CA-C 106.535 -1.654 . . . . 0.0 106.535 178.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.06 -34.42 60.02 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 111.573 0.212 . . . . 0.0 111.573 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 18.2 tptt -59.22 -62.58 1.77 Allowed 'General case' 0 C--N 1.339 0.141 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 178.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -57.83 -40.21 79.48 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-O 118.64 -0.695 . . . . 0.0 111.175 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 91.4 mtp -59.79 -33.92 72.35 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 119.783 1.174 . . . . 0.0 110.018 178.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.8 -23.59 67.47 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 178.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -80.36 -1.5 41.45 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.01 1.324 . . . . 0.0 111.311 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.12 53.63 1.86 Allowed Glycine 0 C--N 1.339 0.711 0 CA-C-O 118.041 -1.422 . . . . 0.0 116.276 177.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -134.63 153.42 51.99 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-N 117.99 0.895 . . . . 0.0 110.954 178.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.06 151.86 45.03 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 125.126 1.37 . . . . 0.0 110.201 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -57.92 -41.02 81.8 Favored 'General case' 0 C--N 1.333 -0.15 0 O-C-N 121.562 -0.711 . . . . 0.0 111.8 -179.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -60.74 -48.79 80.22 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 123.339 0.656 . . . . 0.0 110.802 -178.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -63.14 -48.31 79.01 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 125.308 1.443 . . . . 0.0 110.438 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 96.3 t -60.69 -48.02 90.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 O-C-N 120.941 -1.1 . . . . 0.0 111.61 -179.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -59.09 -38.99 80.8 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -63.03 -54.61 35.49 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.47 -46.87 76.8 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 124.622 1.169 . . . . 0.0 112.571 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.31 -37.69 87.91 Favored 'General case' 0 C--N 1.342 0.282 0 CA-C-O 117.644 -1.169 . . . . 0.0 110.932 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -61.39 -55.1 35.24 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 119.932 1.242 . . . . 0.0 109.625 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 77.2 mt -54.36 -48.32 68.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 C-N-CA 125.218 1.407 . . . . 0.0 108.602 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.13 11.38 0.32 Allowed 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 126.471 1.909 . . . . 0.0 115.535 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 50.39 44.84 26.72 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 121.257 1.844 . . . . 0.0 108.955 -177.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 49.17 53.59 12.36 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 128.024 2.53 . . . . 0.0 111.128 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 64.7 t-20 -121.11 114.75 21.9 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 28.7 t -55.14 -46.01 77.45 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 C-N-CA 124.627 1.171 . . . . 0.0 111.011 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -59.46 -38.49 80.91 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 125.534 1.533 . . . . 0.0 111.863 -177.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 80.1 t -83.44 -40.43 16.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 179.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.72 -34.09 67.15 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 118.898 0.772 . . . . 0.0 109.719 179.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 -58.5 -50.1 74.99 Favored 'General case' 0 C--N 1.339 0.151 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 178.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 69.6 m -61.33 -42.22 98.32 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.744 0.818 . . . . 0.0 111.215 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 72.9 mt -59.75 -50.36 80.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 13.4 mt -63.24 -27.25 69.22 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.919 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 20.7 mmt85 -65.86 -38.36 88.63 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 120.448 1.476 . . . . 0.0 109.89 178.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -68.22 -49.64 59.38 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 118.502 0.592 . . . . 0.0 110.042 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -63.69 -51.81 63.4 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.913 0.885 . . . . 0.0 111.079 -179.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 40.9 t -78.41 72.28 4.92 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 125.662 1.585 . . . . 0.0 108.19 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -105.45 -71.02 0.8 Allowed Glycine 0 CA--C 1.524 0.597 0 C-N-CA 126.735 2.112 . . . . 0.0 108.669 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -79.01 94.96 1.06 Allowed 'Trans proline' 0 N--CA 1.45 -1.078 0 C-N-CA 123.252 2.635 . . . . 0.0 109.609 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 4.0 m -59.99 -27.48 66.9 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 121.344 -0.847 . . . . 0.0 110.169 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 20.4 m -88.25 16.22 6.56 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 128.059 2.543 . . . . 0.0 112.102 179.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.013 0 C-N-CA 125.593 1.568 . . . . 0.0 110.526 179.34 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.96 0 CA-C-O 119.722 -0.488 . . . . 0.0 112.068 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.3 m -80.03 71.75 6.77 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 125.761 1.624 . . . . 0.0 108.915 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -69.82 -5.99 29.38 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -179.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.76 -10.11 4.37 Favored Glycine 0 CA--C 1.529 0.933 0 N-CA-C 117.446 1.738 . . . . 0.0 117.446 178.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.7 m -89.24 147.81 23.94 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 121.113 2.457 . . . . 0.0 111.778 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 t -109.64 177.51 4.71 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.323 1.849 . . . . 0.0 106.858 178.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.75 170.79 34.62 Favored Glycine 0 CA--C 1.524 0.648 0 CA-C-O 118.464 -1.187 . . . . 0.0 110.153 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 5.52 93.82 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 129.664 3.186 . . . . 0.0 113.78 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.5 t -54.65 -39.76 48.06 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 C-N-CA 124.532 1.133 . . . . 0.0 109.747 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -59.21 -44.9 92.27 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 123.605 0.762 . . . . 0.0 110.054 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.3 -16.63 63.78 Favored 'General case' 0 CA--C 1.527 0.085 0 C-N-CA 123.742 0.817 . . . . 0.0 112.096 179.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 47.7 mttp -93.34 -43.5 8.75 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.579 1.151 . . . . 0.0 108.202 179.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 63.5 mt -60.52 -53.67 45.73 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 178.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.21 -13.86 14.61 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.016 0.926 . . . . 0.0 112.244 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.9 tptm -77.47 -63.54 1.35 Allowed 'General case' 0 C--O 1.234 0.253 0 N-CA-C 107.386 -1.339 . . . . 0.0 107.386 178.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.67 -35.06 73.69 Favored 'General case' 0 CA--C 1.516 -0.35 0 C-N-CA 125.272 1.429 . . . . 0.0 111.77 -179.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 89.4 mtp -59.93 -18.86 48.3 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 118.668 0.667 . . . . 0.0 110.997 178.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.13 -26.95 65.15 Favored Glycine 0 CA--C 1.528 0.902 0 O-C-N 120.926 -1.109 . . . . 0.0 111.363 178.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -76.34 -11.01 59.83 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.914 1.286 . . . . 0.0 112.518 -179.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 117.08 -19.44 11.91 Favored Glycine 0 CA--C 1.526 0.732 0 C-N-CA 125.223 1.392 . . . . 0.0 114.833 178.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -62.64 146.87 51.02 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 118.538 1.169 . . . . 0.0 110.789 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.83 158.19 31.0 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 124.866 1.267 . . . . 0.0 111.229 -178.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -54.71 -45.29 74.0 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 113.134 0.791 . . . . 0.0 113.134 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -61.21 -49.18 78.2 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 112.805 0.668 . . . . 0.0 112.805 -178.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -58.93 -47.01 86.58 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 125.853 1.661 . . . . 0.0 109.237 -179.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 73.3 t -66.58 -52.13 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 124.592 1.157 . . . . 0.0 111.694 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.2 ttpt -54.88 -39.75 69.03 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.9 tpt180 -68.69 -45.64 71.12 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.47 -42.1 91.26 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.204 0.602 . . . . 0.0 111.929 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.55 -36.49 83.96 Favored 'General case' 0 C--N 1.342 0.247 0 CA-C-O 117.254 -1.355 . . . . 0.0 110.981 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -61.56 -53.31 57.98 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 120.616 1.553 . . . . 0.0 109.096 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 61.0 mt -56.94 -43.77 81.25 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 C-N-CA 125.083 1.353 . . . . 0.0 108.337 -179.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.22 6.6 3.4 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 127.611 2.364 . . . . 0.0 114.274 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 55.55 41.92 30.22 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 120.065 1.302 . . . . 0.0 110.047 -178.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.3 t30 51.42 62.85 2.5 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 128.214 2.606 . . . . 0.0 110.95 -179.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -139.58 113.04 8.37 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 124.849 1.26 . . . . 0.0 110.193 178.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.8 t -56.78 -42.24 77.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 C-N-CA 124.754 1.222 . . . . 0.0 110.159 179.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -55.16 -28.27 51.59 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 125.466 1.506 . . . . 0.0 111.518 -178.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 37.0 t -99.86 -41.44 9.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 CA-C-O 118.637 -0.697 . . . . 0.0 109.536 178.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.52 -31.69 36.72 Favored 'General case' 0 C--N 1.342 0.282 0 C-N-CA 123.637 0.775 . . . . 0.0 111.242 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 55.4 mtt180 -57.01 -53.9 52.78 Favored 'General case' 0 C--N 1.341 0.199 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 177.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.5 m -60.1 -34.71 73.85 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.048 0.539 . . . . 0.0 111.889 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 79.5 mt -67.54 -52.7 38.49 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 C-N-CA 123.904 0.882 . . . . 0.0 108.949 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.1 mt -61.32 -30.12 70.3 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.36 0.664 . . . . 0.0 110.14 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 57.9 mtp85 -65.44 -20.0 66.18 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.253 0.621 . . . . 0.0 110.911 178.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -99.32 -47.36 5.19 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 119.398 0.999 . . . . 0.0 108.514 177.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -63.74 -20.72 65.97 Favored 'General case' 0 C--N 1.343 0.308 0 CA-C-O 118.168 -0.92 . . . . 0.0 112.889 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.7 t -132.11 -62.33 0.85 Allowed 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 120.218 1.372 . . . . 0.0 108.72 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 156.86 -179.27 32.79 Favored Glycine 0 CA--C 1.524 0.617 0 C-N-CA 119.951 -1.119 . . . . 0.0 114.192 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -64.5 -175.25 0.32 Allowed 'Trans proline' 0 CA--C 1.534 0.483 0 C-N-CA 125.169 3.913 . . . . 0.0 111.514 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 34.0 m -116.22 -73.71 0.64 Allowed 'General case' 0 C--O 1.235 0.3 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 67.6 m 56.33 -165.65 0.13 Allowed 'General case' 0 C--O 1.235 0.337 0 C-N-CA 123.875 0.87 . . . . 0.0 110.986 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.111 0 N-CA-C 109.312 -1.515 . . . . 0.0 109.312 -178.891 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.732 0 CA-C-O 119.017 -0.88 . . . . 0.0 112.291 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 65.8 m -143.18 91.88 2.32 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.212 1.005 . . . . 0.0 109.599 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.23 -15.85 63.94 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.63 0.772 . . . . 0.0 112.224 179.557 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 51.12 61.62 6.05 Favored Glycine 0 C--N 1.342 0.888 0 C-N-CA 125.827 1.68 . . . . 0.0 111.157 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 10.5 m -127.19 171.92 11.02 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.925 1.69 . . . . 0.0 110.359 -179.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 3.5 t -131.19 178.04 7.0 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.875 0.87 . . . . 0.0 111.639 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.26 -138.52 2.9 Favored Glycine 0 CA--C 1.526 0.721 0 C-N-CA 125.468 1.509 . . . . 0.0 110.008 -179.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 23.9 m-20 -62.23 135.01 57.29 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 118.207 1.004 . . . . 0.0 109.483 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 48.3 t -77.09 -53.98 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 C-N-CA 124.251 1.02 . . . . 0.0 110.158 -179.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -60.77 -25.94 66.88 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 121.276 -0.89 . . . . 0.0 111.147 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.57 -19.28 63.54 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 118.56 0.618 . . . . 0.0 110.755 178.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 30.6 mttp -89.36 -41.83 11.9 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 125.657 1.583 . . . . 0.0 107.558 178.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 73.3 mt -59.44 -52.84 56.22 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.03 -28.65 64.67 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 13.5 tptm -64.74 -65.02 0.73 Allowed 'General case' 0 C--O 1.234 0.239 0 N-CA-C 107.778 -1.194 . . . . 0.0 107.778 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.6 -37.98 83.16 Favored 'General case' 0 C--O 1.225 -0.218 0 C-N-CA 124.302 1.041 . . . . 0.0 111.952 -179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 81.0 mtp -58.09 -28.21 64.39 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 120.157 1.344 . . . . 0.0 110.176 179.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.26 -14.02 82.28 Favored Glycine 0 CA--C 1.526 0.726 0 O-C-N 121.276 -0.89 . . . . 0.0 112.153 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -80.64 -15.22 57.12 Favored 'General case' 0 C--O 1.228 -0.037 0 CA-C-N 118.749 1.275 . . . . 0.0 111.377 178.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.95 52.4 0.74 Allowed Glycine 0 CA--C 1.522 0.521 0 C-N-CA 124.698 1.142 . . . . 0.0 112.86 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -136.58 144.78 44.32 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 178.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.75 155.95 39.2 Favored 'General case' 0 C--O 1.233 0.2 0 O-C-N 123.776 0.672 . . . . 0.0 110.651 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -55.85 -42.52 75.94 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 121.961 -0.462 . . . . 0.0 110.95 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -66.01 -21.72 66.41 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.75 0.82 . . . . 0.0 113.073 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -87.85 -43.19 12.01 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 123.846 0.859 . . . . 0.0 108.712 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 81.6 t -69.52 -55.79 13.9 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 C-N-CA 125.392 1.477 . . . . 0.0 112.433 -178.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 17.1 ttpt -56.69 -37.55 71.04 Favored 'General case' 0 CA--C 1.523 -0.096 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 -65.53 -46.18 80.6 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.8 -45.79 81.99 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 122.677 0.391 . . . . 0.0 110.368 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.43 -41.02 98.41 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-O 117.972 -1.014 . . . . 0.0 109.651 179.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -53.94 -54.51 37.91 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.885 1.274 . . . . 0.0 110.248 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 80.2 mt -63.7 -49.55 81.73 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 C-N-CA 126.112 1.765 . . . . 0.0 110.241 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.85 6.87 0.44 Allowed 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 125.746 1.618 . . . . 0.0 114.701 -179.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 57.48 50.16 11.66 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.334 1.054 . . . . 0.0 108.376 -178.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 54.9 t30 48.54 50.99 16.17 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 128.009 2.524 . . . . 0.0 113.393 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 64.9 t-20 -127.71 118.34 23.62 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 120.723 -1.235 . . . . 0.0 109.543 179.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 24.1 t -60.78 -41.17 87.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 C-N-CA 125.91 1.684 . . . . 0.0 111.933 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -63.76 -25.55 68.24 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 124.273 1.029 . . . . 0.0 111.896 -178.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 64.6 t -99.19 -39.41 7.8 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 124.443 1.097 . . . . 0.0 109.958 -178.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.93 -30.02 68.77 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.069 0.948 . . . . 0.0 111.136 179.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -56.23 -48.76 75.85 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 178.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 29.7 m -61.55 -32.75 72.84 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 76.5 mt -67.6 -51.88 46.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 19.1 mt -59.65 -37.0 77.51 Favored 'General case' 0 C--O 1.226 -0.159 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 45.4 mtp85 -65.59 -25.1 67.25 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 118.983 -0.532 . . . . 0.0 111.138 178.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -91.32 -39.94 11.76 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 118.098 -0.953 . . . . 0.0 112.115 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -76.14 -52.42 10.14 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 119.242 0.928 . . . . 0.0 109.212 178.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.07 -91.6 0.07 Allowed 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 173.39 177.6 42.75 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -72.9 152.5 52.16 Favored 'Trans proline' 0 N--CA 1.451 -0.993 0 C-N-CA 122.547 2.165 . . . . 0.0 110.444 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 4.1 m -54.88 -48.51 72.88 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.919 1.288 . . . . 0.0 114.191 -179.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 56.4 m 64.87 161.91 0.13 Allowed 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 126.124 1.77 . . . . 0.0 111.034 -178.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.912 0 N-CA-C 106.282 -2.727 . . . . 0.0 106.282 -178.334 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.898 0 N-CA-C 110.721 -0.952 . . . . 0.0 110.721 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.8 t -62.58 -43.62 98.34 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 125.657 1.583 . . . . 0.0 113.319 -179.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 m -140.33 120.85 14.15 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -177.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.34 178.33 19.38 Favored Glycine 0 CA--C 1.528 0.906 0 C-N-CA 126.121 1.819 . . . . 0.0 109.392 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 m 54.32 23.34 4.28 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 114.444 1.276 . . . . 0.0 114.444 178.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.8 p -78.62 148.76 33.12 Favored 'General case' 0 C--O 1.235 0.312 0 O-C-N 120.775 -1.203 . . . . 0.0 111.454 -179.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.83 69.85 3.24 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 109.407 -1.477 . . . . 0.0 109.407 179.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.7 m120 -152.14 148.3 27.47 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 124.166 0.986 . . . . 0.0 109.271 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 74.7 t -124.52 -52.41 2.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 C-N-CA 127.235 2.214 . . . . 0.0 105.555 178.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -57.96 -44.75 87.2 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.095 1.358 . . . . 0.0 111.447 179.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.4 -16.56 63.74 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.839 -0.538 . . . . 0.0 110.874 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 27.7 mttp -90.41 -34.22 15.72 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 117.84 -1.076 . . . . 0.0 108.474 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 45.1 mt -57.59 -57.24 11.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 177.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.05 -35.61 64.67 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.639 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.1 tptm -63.11 -58.33 7.6 Favored 'General case' 0 C--O 1.226 -0.14 0 C-N-CA 123.727 0.811 . . . . 0.0 110.118 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.04 -36.65 84.68 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-O 118.105 -0.95 . . . . 0.0 111.87 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 92.1 mtp -56.17 -37.62 69.81 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 119.68 1.127 . . . . 0.0 109.797 179.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.2 -17.64 59.46 Favored Glycine 0 C--N 1.34 0.788 0 C-N-CA 124.773 1.178 . . . . 0.0 113.787 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -79.22 -18.23 53.29 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.984 1.392 . . . . 0.0 110.086 179.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.03 59.26 0.66 Allowed Glycine 0 CA--C 1.527 0.797 0 C-N-CA 125.034 1.302 . . . . 0.0 111.948 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -137.33 159.38 42.09 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 125.296 1.438 . . . . 0.0 108.105 178.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.75 148.78 26.86 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.441 0.564 . . . . 0.0 109.601 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -51.31 -42.52 61.25 Favored 'General case' 0 C--O 1.231 0.089 0 C-N-CA 125.154 1.381 . . . . 0.0 112.389 -179.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -61.62 -31.74 71.84 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -178.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -84.59 -36.85 21.77 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 124.286 1.035 . . . . 0.0 110.095 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 44.7 t -62.7 -46.48 96.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 C-N-CA 124.803 1.241 . . . . 0.0 108.953 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -58.85 -39.6 81.76 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -63.61 -50.49 69.18 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.54 -48.51 74.59 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.534 0.733 . . . . 0.0 112.873 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.96 -41.53 97.55 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 118.519 -0.753 . . . . 0.0 112.759 -178.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -60.09 -52.0 67.22 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 118.834 0.743 . . . . 0.0 109.483 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 88.2 mt -60.51 -52.25 63.59 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 C-N-CA 125.148 1.379 . . . . 0.0 111.257 -179.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.01 8.74 1.43 Allowed 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 115.246 1.573 . . . . 0.0 115.246 -178.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 55.79 57.27 5.34 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 122.859 1.314 . . . . 0.0 110.656 -179.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 40.54 55.26 2.92 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 130.819 3.647 . . . . 0.0 114.753 179.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 56.9 t-20 -126.11 110.78 13.9 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 127.037 2.135 . . . . 0.0 108.252 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 38.1 t -52.08 -42.84 36.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 C-N-CA 125.328 1.451 . . . . 0.0 111.942 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -56.42 -52.11 65.87 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.73 1.212 . . . . 0.0 112.181 -178.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.7 t -71.87 -39.99 68.17 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 C-N-CA 124.479 1.112 . . . . 0.0 109.847 -179.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.55 -36.54 69.4 Favored 'General case' 0 CA--C 1.53 0.203 0 O-C-N 121.481 -0.762 . . . . 0.0 111.482 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.6 mtm180 -61.83 -46.09 91.01 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 178.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 75.0 m -59.59 -34.38 72.66 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 118.91 0.777 . . . . 0.0 111.364 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 58.3 mt -63.92 -50.64 76.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.8 mt -62.15 -24.77 67.37 Favored 'General case' 0 CA--C 1.527 0.085 0 C-N-CA 124.237 1.015 . . . . 0.0 111.333 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 23.0 mmt85 -64.1 -38.56 91.5 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 120.006 1.275 . . . . 0.0 110.529 178.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -76.82 -39.55 50.93 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -68.7 -52.91 25.77 Favored 'General case' 0 C--O 1.226 -0.141 0 CA-C-N 118.381 0.537 . . . . 0.0 111.94 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.0 t -72.74 -51.0 20.95 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 124.364 1.066 . . . . 0.0 112.78 -178.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.78 176.14 21.12 Favored Glycine 0 CA--C 1.542 1.729 0 N-CA-C 109.41 -1.476 . . . . 0.0 109.41 -177.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -75.66 90.0 1.17 Allowed 'Trans proline' 0 N--CA 1.454 -0.814 0 C-N-CA 123.568 2.845 . . . . 0.0 110.581 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.8 p -56.7 -42.98 80.07 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 122.382 1.087 . . . . 0.0 110.04 179.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.1 m -157.94 169.09 25.36 Favored 'General case' 0 C--O 1.239 0.552 0 C-N-CA 127.624 2.37 . . . . 0.0 106.17 178.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.77 0 N-CA-C 109.679 -1.369 . . . . 0.0 109.679 -179.553 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.748 0 N-CA-C 110.584 -1.007 . . . . 0.0 110.584 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 11.9 t -56.23 -47.12 79.09 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.229 1.811 . . . . 0.0 111.339 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 65.9 m -143.78 88.97 2.02 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 123.651 0.781 . . . . 0.0 109.144 179.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.28 173.49 16.51 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 178.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 11.0 m 50.75 20.22 0.72 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.162 1.785 . . . . 0.0 115.705 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 4.9 p -70.78 156.89 38.96 Favored 'General case' 0 C--O 1.238 0.477 0 O-C-N 121.175 -0.953 . . . . 0.0 109.567 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.28 49.2 0.97 Allowed Glycine 0 CA--C 1.525 0.693 0 C-N-CA 125.626 1.584 . . . . 0.0 113.731 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -125.93 159.68 31.97 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.983 1.313 . . . . 0.0 108.081 178.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 48.7 t -127.26 -55.04 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 C-N-CA 125.369 1.467 . . . . 0.0 107.26 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -57.76 -49.36 76.85 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 124.568 1.147 . . . . 0.0 110.854 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.41 -18.33 64.61 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 121.947 -0.471 . . . . 0.0 111.575 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -84.18 -42.07 16.35 Favored 'General case' 0 CA--C 1.518 -0.267 0 C-N-CA 123.657 0.783 . . . . 0.0 109.531 179.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 49.7 mt -59.09 -54.7 30.59 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.24 -35.16 25.64 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 36.1 tttt -62.01 -56.17 21.82 Favored 'General case' 0 CA--C 1.527 0.058 0 C-N-CA 125.611 1.564 . . . . 0.0 111.233 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -67.08 -36.89 82.97 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-N 118.744 0.702 . . . . 0.0 109.665 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 99.3 mtp -59.19 -33.18 70.65 Favored 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.08 -27.29 62.27 Favored Glycine 0 CA--C 1.526 0.723 0 CA-C-O 118.833 -0.982 . . . . 0.0 112.803 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -71.87 -21.36 61.67 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 118.697 1.248 . . . . 0.0 110.595 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.81 -8.41 6.45 Favored Glycine 0 CA--C 1.527 0.818 0 CA-C-O 117.911 -1.494 . . . . 0.0 114.245 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -69.28 163.68 24.5 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 119.143 1.471 . . . . 0.0 111.988 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.51 155.53 19.6 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.556 1.543 . . . . 0.0 109.94 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -56.47 -46.69 80.29 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 124.586 1.154 . . . . 0.0 113.651 -179.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -56.8 -45.78 81.99 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 112.516 0.561 . . . . 0.0 112.516 -177.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -63.05 -49.21 75.46 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 126.279 1.832 . . . . 0.0 110.588 -178.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 75.2 t -65.32 -50.85 70.9 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 C-N-CA 124.263 1.025 . . . . 0.0 111.416 -179.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.3 ttpt -55.22 -39.53 69.78 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -67.79 -50.29 57.74 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.41 -43.18 75.05 Favored 'General case' 0 N--CA 1.457 -0.088 0 C-N-CA 124.444 1.097 . . . . 0.0 112.265 -179.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.83 -33.04 73.44 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 117.234 -1.365 . . . . 0.0 110.476 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -69.81 -50.82 39.2 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 120.807 1.64 . . . . 0.0 109.593 179.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 65.4 mt -55.57 -39.39 54.05 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 C-N-CA 123.845 0.858 . . . . 0.0 109.6 -179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.17 3.56 14.86 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 127.541 2.337 . . . . 0.0 113.871 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 54.96 55.74 7.41 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.757 1.223 . . . . 0.0 108.096 -177.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 29.6 m120 44.51 54.9 6.11 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 130.711 3.605 . . . . 0.0 111.031 -179.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 56.7 t-20 -127.7 121.19 29.73 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 123.869 0.868 . . . . 0.0 110.467 -179.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 23.9 t -65.09 -44.32 95.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 124.242 1.017 . . . . 0.0 111.398 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -56.63 -42.14 78.34 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 123.955 0.902 . . . . 0.0 110.312 -178.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 61.4 t -80.3 -40.08 19.6 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 122.638 0.375 . . . . 0.0 111.345 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.73 -30.1 55.27 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 119.167 0.894 . . . . 0.0 111.332 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 42.7 mtt-85 -53.03 -59.43 4.55 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.229 1.011 . . . . 0.0 109.727 178.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 3.5 m -60.39 -32.82 71.68 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.135 0.974 . . . . 0.0 112.892 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 66.8 mt -66.89 -53.53 33.53 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-N 119.256 0.935 . . . . 0.0 108.595 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 19.8 mt -58.68 -32.1 68.82 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 122.719 0.408 . . . . 0.0 110.506 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -66.24 -20.34 66.09 Favored 'General case' 0 C--N 1.339 0.149 0 CA-C-O 118.009 -0.996 . . . . 0.0 111.603 179.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -92.07 -45.43 8.3 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 120.447 1.476 . . . . 0.0 110.426 178.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -68.18 -30.14 69.17 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 123.688 0.617 . . . . 0.0 112.149 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 32.7 t -105.68 -59.34 1.78 Allowed 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.989 0.916 . . . . 0.0 110.998 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.5 -172.95 53.55 Favored Glycine 0 CA--C 1.534 1.255 0 N-CA-C 111.421 -0.672 . . . . 0.0 111.421 -179.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -74.61 110.06 3.03 Favored 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 123.515 2.81 . . . . 0.0 110.921 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 19.3 p -87.54 -27.01 22.86 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.719 0.808 . . . . 0.0 111.399 179.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 4.9 m -154.16 132.79 12.16 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 127.005 2.122 . . . . 0.0 106.976 179.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.946 0 N-CA-C 104.886 -3.285 . . . . 0.0 104.886 -179.39 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.605 0 N-CA-C 110.06 -1.216 . . . . 0.0 110.06 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 p -173.25 127.62 0.44 Allowed 'General case' 0 C--O 1.235 0.305 0 C-N-CA 127.427 2.291 . . . . 0.0 106.767 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.0 m -135.83 -8.1 2.12 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -179.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.77 179.26 47.03 Favored Glycine 0 C--N 1.335 0.473 0 CA-C-N 120.367 1.439 . . . . 0.0 110.177 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.8 p -75.95 154.9 35.57 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 117.229 0.515 . . . . 0.0 110.422 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.2 p -156.82 28.05 0.32 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.269 1.827 . . . . 0.0 109.444 179.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.7 -153.79 46.23 Favored Glycine 0 C--N 1.338 0.646 0 N-CA-C 109.617 -1.393 . . . . 0.0 109.617 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 62.8 161.01 0.09 Allowed 'General case' 0 C--O 1.234 0.267 0 C-N-CA 128.325 2.65 . . . . 0.0 112.857 179.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.3 t -146.92 -55.22 0.1 OUTLIER 'Isoleucine or valine' 0 C--O 1.225 -0.235 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -57.27 -46.63 82.91 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 118.719 0.69 . . . . 0.0 111.248 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.13 -16.27 51.4 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 118.892 0.769 . . . . 0.0 112.778 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.5 mttt -91.36 -43.46 9.75 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 107.599 -1.259 . . . . 0.0 107.599 179.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 52.5 mt -59.14 -51.75 68.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 N-CA-C 106.901 -1.518 . . . . 0.0 106.901 178.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.66 -44.72 66.38 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 178.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.6 tttp -58.47 -57.63 12.08 Favored 'General case' 0 C--N 1.34 0.156 0 CA-C-O 118.03 -0.986 . . . . 0.0 111.223 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -58.87 -38.63 79.24 Favored 'General case' 0 C--N 1.343 0.286 0 CA-C-N 119.657 1.117 . . . . 0.0 110.898 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 80.1 mtp -58.09 -33.45 69.11 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 119.34 0.973 . . . . 0.0 109.412 179.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.19 -16.39 73.07 Favored Glycine 0 CA--C 1.533 1.164 0 C-N-CA 125.148 1.356 . . . . 0.0 112.502 178.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -79.72 -20.09 47.27 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 119.25 1.525 . . . . 0.0 109.166 178.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.88 55.68 0.44 Allowed Glycine 0 C--N 1.337 0.629 0 C-N-CA 125.576 1.56 . . . . 0.0 112.106 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -139.49 150.57 45.31 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 118.391 1.095 . . . . 0.0 108.068 178.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.37 155.92 24.48 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 121.616 0.722 . . . . 0.0 111.0 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -55.86 -39.12 71.04 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.922 1.289 . . . . 0.0 113.331 -179.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -67.97 -20.16 65.02 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 122.953 0.501 . . . . 0.0 112.099 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -91.78 -46.49 7.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 122.573 1.178 . . . . 0.0 109.074 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 89.0 t -65.08 -53.34 42.24 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 C-N-CA 125.676 1.591 . . . . 0.0 113.321 -177.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -55.58 -38.14 68.99 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 118.217 0.462 . . . . 0.0 110.106 -179.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.8 tpt180 -62.87 -50.7 69.86 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 179.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.62 -41.19 85.36 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.077 0.399 . . . . 0.0 111.728 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -67.21 -32.6 73.76 Favored 'General case' 0 C--N 1.341 0.225 0 O-C-N 121.023 -1.048 . . . . 0.0 110.99 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -65.05 -52.92 53.03 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 178.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 66.8 mt -58.28 -51.58 69.47 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 124.527 1.131 . . . . 0.0 109.586 -179.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.77 6.22 0.52 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.519 1.928 . . . . 0.0 115.61 -179.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 54.82 31.38 15.5 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 120.332 1.424 . . . . 0.0 109.996 -177.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.2 m120 71.65 22.33 4.08 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 130.733 3.613 . . . . 0.0 115.911 179.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 -92.08 118.6 30.97 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 120.446 1.476 . . . . 0.0 107.692 178.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 25.6 t -61.82 -42.88 96.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 O-C-N 121.194 -0.941 . . . . 0.0 111.149 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -53.08 -39.56 63.41 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 123.955 0.902 . . . . 0.0 110.947 -177.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 60.7 t -80.59 -45.51 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.575 0 C-N-CA 126.832 2.053 . . . . 0.0 110.43 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.4 -28.82 60.44 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.568 0.747 . . . . 0.0 111.934 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -59.68 -50.02 75.46 Favored 'General case' 0 C--O 1.227 -0.11 0 CA-C-O 118.955 -0.545 . . . . 0.0 110.06 178.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.2 m -56.67 -41.77 77.83 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.373 0.669 . . . . 0.0 111.868 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 69.2 mt -57.33 -56.97 12.01 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 N-CA-C 108.05 -1.092 . . . . 0.0 108.05 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 40.0 mt -59.34 -32.67 70.31 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 118.43 -0.795 . . . . 0.0 111.854 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 32.1 mtm180 -68.08 -28.35 67.28 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 119.556 1.071 . . . . 0.0 112.255 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -94.99 -29.35 14.67 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 118.954 0.797 . . . . 0.0 111.736 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -69.74 -49.62 51.44 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 105.194 -2.15 . . . . 0.0 105.194 176.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.4 t -88.84 -123.17 0.05 Allowed 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 104.51 -2.404 . . . . 0.0 104.51 177.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -148.04 166.78 28.92 Favored Glycine 0 CA--C 1.529 0.93 0 N-CA-C 110.362 -1.095 . . . . 0.0 110.362 179.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -70.59 117.97 5.43 Favored 'Trans proline' 0 N--CA 1.452 -0.917 0 C-N-CA 123.029 2.486 . . . . 0.0 109.283 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.1 t -140.31 -166.34 2.09 Favored 'General case' 0 C--O 1.239 0.509 0 C-N-CA 126.117 1.767 . . . . 0.0 107.648 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.54 165.15 36.77 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 125.439 1.496 . . . . 0.0 107.835 178.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.656 0 N-CA-C 106.894 -2.483 . . . . 0.0 106.894 179.519 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.685 0 CA-C-O 119.563 -0.576 . . . . 0.0 113.42 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.4 p -161.68 167.51 25.0 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 118.867 1.333 . . . . 0.0 109.542 179.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.3 p -158.7 -93.13 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.81 -168.01 33.55 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 108.758 -1.737 . . . . 0.0 108.758 178.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 60.5 p -88.48 -170.69 3.04 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.181 0.993 . . . . 0.0 109.314 178.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 10.8 p -170.88 -41.34 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.398 0 O-C-N 121.112 -0.993 . . . . 0.0 112.083 179.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.27 -174.8 18.31 Favored Glycine 0 CA--C 1.524 0.607 0 C-N-CA 125.614 1.578 . . . . 0.0 110.909 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 77.79 130.27 0.05 OUTLIER 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 128.115 2.566 . . . . 0.0 107.871 -178.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 8.8 t -104.68 -37.95 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 O-C-N 120.936 -1.102 . . . . 0.0 110.209 -178.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -60.83 -47.69 85.21 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 123.943 0.897 . . . . 0.0 112.717 -179.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.36 -20.12 58.22 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.425 0.69 . . . . 0.0 111.527 179.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 48.7 mttp -89.36 -44.27 10.33 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 44.4 mt -54.55 -53.2 33.3 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.084 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.24 -21.9 64.31 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 179.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 38.8 tttp -77.41 -54.65 6.19 Favored 'General case' 0 C--N 1.34 0.195 0 O-C-N 120.645 -1.285 . . . . 0.0 108.522 178.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -63.14 -40.41 97.49 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 119.648 1.113 . . . . 0.0 109.531 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 92.2 mtp -62.87 -30.03 71.21 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 178.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.65 -34.23 85.45 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 109.748 -1.341 . . . . 0.0 109.748 179.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -66.17 -49.24 68.05 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 105.122 -2.177 . . . . 0.0 105.122 177.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 151.98 -7.12 0.55 Allowed Glycine 0 C--N 1.343 0.931 0 CA-C-O 117.287 -1.84 . . . . 0.0 117.434 178.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -68.86 150.16 48.1 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 120.704 2.252 . . . . 0.0 112.157 -178.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.75 155.97 39.73 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 125.345 1.458 . . . . 0.0 112.506 -179.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -56.91 -41.29 77.87 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.004 0.521 . . . . 0.0 112.049 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.8 -31.47 71.69 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 123.852 0.861 . . . . 0.0 111.853 -179.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -84.45 -45.47 12.65 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 123.698 0.799 . . . . 0.0 111.311 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 80.3 t -60.51 -61.03 1.72 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 C-N-CA 125.621 1.568 . . . . 0.0 112.933 -177.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 12.2 tttt -56.16 -35.45 67.19 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 118.762 0.71 . . . . 0.0 111.093 -178.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -64.25 -53.11 54.25 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 106.91 -1.515 . . . . 0.0 106.91 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.18 -43.11 82.3 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.122 0.569 . . . . 0.0 111.143 179.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.27 -28.03 68.4 Favored 'General case' 0 N--CA 1.464 0.238 0 O-C-N 121.316 -0.865 . . . . 0.0 111.519 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -71.48 -55.47 7.82 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 107.394 -1.335 . . . . 0.0 107.394 178.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 28.1 mt -54.06 -46.77 66.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 C-N-CA 125.971 1.708 . . . . 0.0 110.04 -179.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.35 7.03 2.48 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.559 1.944 . . . . 0.0 115.289 -179.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 51.74 40.35 27.36 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 120.928 1.695 . . . . 0.0 108.165 -176.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 7.3 m120 66.59 9.31 6.5 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 129.559 3.143 . . . . 0.0 114.545 -179.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -76.93 117.24 18.32 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 121.822 2.101 . . . . 0.0 111.041 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 52.0 t -58.53 -42.81 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 C-N-CA 124.695 1.198 . . . . 0.0 111.453 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -65.21 -26.51 68.16 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -177.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 86.9 t -86.24 -44.16 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 N-CA-C 106.614 -1.624 . . . . 0.0 106.614 178.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.12 -35.89 49.57 Favored 'General case' 0 C--N 1.343 0.318 0 C-N-CA 123.971 0.908 . . . . 0.0 110.81 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 30.9 mtt85 -55.58 -53.16 59.9 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 118.655 0.661 . . . . 0.0 110.084 178.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 11.9 m -57.27 -29.1 63.57 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 125.068 1.347 . . . . 0.0 113.484 -179.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 71.8 mt -76.25 -51.85 18.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 C-N-CA 124.782 1.233 . . . . 0.0 107.846 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 59.6 mt -61.4 -32.38 72.32 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.426 0.691 . . . . 0.0 110.424 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -63.67 -34.69 78.41 Favored 'General case' 0 C--N 1.343 0.307 0 CA-C-O 118.822 -0.609 . . . . 0.0 110.546 179.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -84.67 -43.16 14.62 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 119.677 1.126 . . . . 0.0 109.952 179.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -66.36 -52.14 49.98 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 115.259 1.577 . . . . 0.0 115.259 -179.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 33.4 t -104.27 -1.68 26.7 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -178.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.97 144.52 10.79 Favored Glycine 0 CA--C 1.532 1.15 0 CA-C-N 119.508 1.049 . . . . 0.0 110.849 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -76.05 60.94 6.34 Favored 'Trans proline' 0 CA--C 1.536 0.621 1 C-N-CA 125.387 4.058 . . . . 0.0 114.975 -177.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 8.3 t -71.89 174.55 6.79 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-O 121.765 0.793 . . . . 0.0 110.64 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 5.2 t -125.21 -179.61 4.66 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 126.468 1.907 . . . . 0.0 108.586 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.857 0 N-CA-C 108.976 -1.65 . . . . 0.0 108.976 -179.805 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.563 0 N-CA-C 108.574 -1.81 . . . . 0.0 108.574 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 p -154.33 178.08 10.42 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 125.964 1.706 . . . . 0.0 108.908 -179.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -140.06 -27.42 0.76 Allowed 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.619 1.168 . . . . 0.0 111.934 -179.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.36 -144.87 5.36 Favored Glycine 0 C--N 1.34 0.778 0 CA-C-N 120.224 1.374 . . . . 0.0 111.94 -179.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 p -149.73 118.18 6.49 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 127.413 2.285 . . . . 0.0 105.84 179.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.6 m -66.92 155.3 38.85 Favored 'General case' 0 N--CA 1.451 -0.408 0 O-C-N 123.294 0.371 . . . . 0.0 111.611 -179.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.6 -167.77 42.42 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 109.668 -1.373 . . . . 0.0 109.668 178.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.2 m120 63.29 165.48 0.12 Allowed 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 128.442 2.697 . . . . 0.0 112.689 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.8 t -137.3 -44.36 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.209 0 C-N-CA 125.041 1.336 . . . . 0.0 108.725 179.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -59.39 -42.66 92.24 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -179.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.35 -34.4 77.24 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.839 -0.538 . . . . 0.0 110.527 178.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 45.5 mttt -68.49 -41.52 79.95 Favored 'General case' 0 C--O 1.224 -0.239 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 178.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 36.4 mt -57.78 -53.33 46.38 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.302 0 N-CA-C 105.676 -1.972 . . . . 0.0 105.676 178.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.57 -35.43 65.76 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 122.452 0.301 . . . . 0.0 111.652 178.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.5 tptp -61.52 -52.38 64.71 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.064 0.946 . . . . 0.0 109.0 178.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.92 -35.65 67.09 Favored 'General case' 0 C--O 1.225 -0.193 0 CA-C-N 119.411 1.005 . . . . 0.0 111.999 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 83.2 mtp -58.75 -35.79 73.3 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 119.893 1.224 . . . . 0.0 107.984 178.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.62 -18.54 61.58 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 125.095 1.331 . . . . 0.0 112.7 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -72.12 -35.62 69.19 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 119.48 1.64 . . . . 0.0 108.201 178.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 122.84 58.57 0.2 Allowed Glycine 0 CA--C 1.525 0.686 0 C-N-CA 125.017 1.294 . . . . 0.0 111.976 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -137.13 160.3 39.37 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 125.363 1.465 . . . . 0.0 109.197 178.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.16 157.49 25.26 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.987 0.915 . . . . 0.0 110.025 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -55.98 -43.62 77.76 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.474 1.11 . . . . 0.0 113.237 -178.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -56.83 -49.49 75.26 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 118.889 0.768 . . . . 0.0 112.072 -178.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -59.34 -48.46 81.55 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 126.028 1.731 . . . . 0.0 110.709 -178.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 87.9 t -62.76 -46.35 96.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 123.851 0.86 . . . . 0.0 110.566 -179.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.33 -37.38 83.05 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 118.949 -0.548 . . . . 0.0 109.627 -179.749 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.11 -54.19 47.7 Favored 'General case' 0 C--N 1.34 0.186 0 C-N-CA 125.204 1.402 . . . . 0.0 107.377 179.029 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.31 -49.13 72.97 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 124.629 1.171 . . . . 0.0 110.982 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.91 -36.02 83.03 Favored 'General case' 0 C--N 1.34 0.183 0 CA-C-N 119.759 1.163 . . . . 0.0 111.924 -179.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -63.27 -56.25 18.04 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-N 119.871 1.214 . . . . 0.0 109.454 179.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 77.4 mt -57.21 -50.41 76.71 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 C-N-CA 125.363 1.465 . . . . 0.0 108.447 -179.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.97 4.7 0.41 Allowed 'General case' 0 C--O 1.234 0.268 0 C-N-CA 126.646 1.978 . . . . 0.0 114.837 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 53.48 43.38 31.36 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 120.549 1.522 . . . . 0.0 108.471 -178.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 12.3 m120 58.17 27.04 14.49 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 128.742 2.817 . . . . 0.0 114.329 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 64.1 t-20 -99.56 118.78 36.87 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 120.323 1.419 . . . . 0.0 110.449 179.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 16.1 t -57.57 -44.28 84.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 C-N-CA 124.862 1.265 . . . . 0.0 110.171 179.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -60.05 -22.92 63.29 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 124.712 1.205 . . . . 0.0 113.933 -178.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.3 t -99.41 -40.92 9.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 179.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.09 -34.6 57.33 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.802 0.841 . . . . 0.0 111.9 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 37.8 ttt-85 -56.21 -52.2 65.29 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.028 0.531 . . . . 0.0 110.188 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 45.5 m -64.27 -31.02 72.06 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.231 0.612 . . . . 0.0 111.865 179.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 74.1 mt -68.36 -48.59 72.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-N 119.442 1.019 . . . . 0.0 108.561 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.6 mt -58.46 -32.06 68.39 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.277 0.631 . . . . 0.0 110.459 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.9 mmt85 -66.0 -21.49 66.41 Favored 'General case' 0 N--CA 1.461 0.11 0 C-N-CA 123.589 0.755 . . . . 0.0 111.91 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -100.34 -39.4 8.02 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 117.434 -1.269 . . . . 0.0 110.375 179.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -64.91 -51.83 59.8 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.6 t -82.48 -14.93 54.2 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.232 0.613 . . . . 0.0 110.878 178.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.03 -178.59 53.97 Favored Glycine 0 CA--C 1.536 1.383 0 O-C-N 121.132 -0.98 . . . . 0.0 112.1 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -73.2 116.37 4.68 Favored 'Trans proline' 0 N--CA 1.456 -0.724 0 C-N-CA 124.05 3.166 . . . . 0.0 109.545 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 p -69.46 149.85 47.84 Favored 'General case' 0 C--O 1.242 0.694 0 CA-C-O 120.847 0.356 . . . . 0.0 110.208 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 61.9 m -151.02 179.68 8.05 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.973 1.709 . . . . 0.0 110.422 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.318 0 CA-C-O 118.678 -1.068 . . . . 0.0 110.631 -179.85 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.6 0 N-CA-C 111.822 -0.511 . . . . 0.0 111.822 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 19.0 p -147.2 162.46 38.84 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 125.623 1.569 . . . . 0.0 110.011 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -151.47 -7.57 0.24 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.485 1.114 . . . . 0.0 112.225 179.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.48 -146.36 18.08 Favored Glycine 0 C--N 1.335 0.492 0 N-CA-C 106.868 -2.493 . . . . 0.0 106.868 -179.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 1.8 p -145.38 148.68 33.62 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 118.974 1.387 . . . . 0.0 111.486 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 17.1 m -74.32 133.66 42.55 Favored 'General case' 0 C--O 1.237 0.43 0 N-CA-C 107.149 -1.426 . . . . 0.0 107.149 178.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.63 -167.86 30.04 Favored Glycine 0 CA--C 1.528 0.845 0 C-N-CA 123.832 0.729 . . . . 0.0 112.292 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 t30 67.06 168.76 0.24 Allowed 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 128.874 2.869 . . . . 0.0 113.393 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 6.6 t -139.04 -47.67 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 C-N-CA 123.749 0.82 . . . . 0.0 110.767 -179.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.16 -45.29 75.71 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.408 -0.807 . . . . 0.0 111.575 -179.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.27 -34.93 79.51 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.762 -0.586 . . . . 0.0 110.537 178.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 52.1 mttt -64.96 -42.11 94.88 Favored 'General case' 0 C--O 1.225 -0.224 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 178.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 58.2 mt -55.51 -54.18 28.34 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 N-CA-C 107.435 -1.321 . . . . 0.0 107.435 178.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.12 -37.44 71.97 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 119.618 -0.23 . . . . 0.0 110.83 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 15.0 tptp -60.96 -56.37 21.87 Favored 'General case' 0 C--N 1.341 0.199 0 C-N-CA 123.823 0.849 . . . . 0.0 109.401 179.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.09 -41.87 97.45 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 117.831 -1.081 . . . . 0.0 111.167 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 92.0 mtp -55.58 -36.3 66.72 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 120.002 1.273 . . . . 0.0 110.118 179.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.16 -23.83 62.43 Favored Glycine 0 C--N 1.339 0.743 0 C-N-CA 124.041 0.829 . . . . 0.0 112.822 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -73.73 -6.68 48.38 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.149 1.475 . . . . 0.0 110.011 178.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.42 60.13 1.01 Allowed Glycine 0 C--N 1.339 0.747 0 C-N-CA 127.01 2.243 . . . . 0.0 112.109 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -138.33 152.66 48.69 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 118.063 0.932 . . . . 0.0 109.349 178.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.18 153.62 29.9 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 123.097 0.559 . . . . 0.0 109.595 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -54.58 -42.92 71.62 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 -178.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -64.48 -37.59 88.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 119.37 0.986 . . . . 0.0 112.212 -178.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -68.74 -46.77 68.01 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 179.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 73.9 t -59.43 -49.17 84.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 124.874 1.27 . . . . 0.0 111.668 -179.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -56.59 -39.74 74.07 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.15 -52.07 65.31 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 179.525 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.43 -48.97 71.05 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 124.137 0.975 . . . . 0.0 110.83 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.7 -41.31 97.41 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 119.533 1.061 . . . . 0.0 110.53 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -62.4 -58.12 8.79 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 118.982 0.81 . . . . 0.0 110.522 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 75.1 mt -57.43 -46.96 85.74 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 C-N-CA 125.106 1.363 . . . . 0.0 110.084 -179.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -75.64 16.7 0.35 Allowed 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 -179.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 50.96 42.54 28.4 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.824 1.193 . . . . 0.0 111.253 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 8.2 m120 58.02 15.28 3.08 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 129.087 2.955 . . . . 0.0 114.33 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 57.8 t-20 -85.17 108.38 17.68 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.261 1.425 . . . . 0.0 108.061 177.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 37.1 t -52.43 -40.83 33.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 CA-C-N 119.968 1.258 . . . . 0.0 111.502 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -52.37 -31.12 32.22 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 125.19 1.396 . . . . 0.0 113.651 -178.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 64.1 t -99.7 -35.02 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 C-N-CA 123.784 0.834 . . . . 0.0 111.292 -179.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.81 -37.68 63.79 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 119.0 0.818 . . . . 0.0 110.215 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -55.59 -48.52 74.7 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.297 1.039 . . . . 0.0 110.702 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 13.1 m -70.56 -27.64 64.28 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.375 1.07 . . . . 0.0 112.094 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 81.5 mt -70.58 -47.58 63.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 178.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 17.0 mt -59.75 -29.71 68.34 Favored 'General case' 0 CA--C 1.527 0.079 0 C-N-CA 123.48 0.712 . . . . 0.0 110.832 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.06 -29.91 70.62 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 122.937 0.495 . . . . 0.0 111.775 179.101 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -91.61 -43.63 9.52 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -63.63 -52.87 58.94 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 119.243 0.929 . . . . 0.0 111.525 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 9.4 t -75.99 -22.72 55.55 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.602 0.761 . . . . 0.0 110.51 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 84.93 -179.2 51.14 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 124.149 0.88 . . . . 0.0 112.42 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -71.45 107.39 2.14 Favored 'Trans proline' 0 N--CA 1.451 -0.975 0 C-N-CA 123.233 2.622 . . . . 0.0 109.562 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.37 115.57 4.31 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 179.055 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 19.0 m -129.6 76.66 1.74 Allowed 'General case' 0 C--O 1.238 0.494 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 -179.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.192 0 N-CA-C 107.646 -2.182 . . . . 0.0 107.646 179.433 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.768 0 N-CA-C 110.014 -1.234 . . . . 0.0 110.014 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -68.18 -22.87 64.81 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 117.778 0.789 . . . . 0.0 112.767 -179.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.2 m -135.05 174.06 11.03 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 124.604 1.162 . . . . 0.0 110.903 -178.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.0 60.5 0.36 Allowed Glycine 0 CA--C 1.525 0.666 0 C-N-CA 125.428 1.49 . . . . 0.0 110.643 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.7 m -142.09 165.49 27.29 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 126.707 2.003 . . . . 0.0 107.178 178.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.0 p -174.27 -170.97 0.56 Allowed 'General case' 0 C--O 1.233 0.231 0 C-N-CA 124.694 1.198 . . . . 0.0 108.384 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.45 21.63 32.41 Favored Glycine 0 CA--C 1.528 0.899 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 177.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -130.22 142.81 50.54 Favored 'General case' 0 C--N 1.345 0.411 0 CA-C-N 119.598 1.699 . . . . 0.0 112.363 -178.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.5 p -123.28 -54.3 2.7 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 125.392 1.477 . . . . 0.0 110.565 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -53.81 -37.0 63.1 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 124.742 1.217 . . . . 0.0 113.269 -178.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.78 -33.54 74.27 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 122.804 0.442 . . . . 0.0 110.327 179.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.7 mttp -74.31 -37.13 63.71 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 123.844 0.858 . . . . 0.0 109.537 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 92.6 mt -59.64 -51.25 74.98 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 N-CA-C 106.475 -1.676 . . . . 0.0 106.475 178.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.72 -38.65 75.64 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 118.059 0.391 . . . . 0.0 110.924 179.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.0 tptp -61.23 -57.61 11.72 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.986 0.914 . . . . 0.0 110.684 179.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.71 -37.54 82.04 Favored 'General case' 0 C--N 1.339 0.147 0 CA-C-N 118.973 0.806 . . . . 0.0 110.79 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 52.2 mmm -57.94 -28.21 64.1 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 118.309 0.504 . . . . 0.0 110.842 178.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.58 -17.25 79.02 Favored Glycine 0 CA--C 1.529 0.965 0 C-N-CA 124.121 0.867 . . . . 0.0 112.899 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -78.26 -26.0 47.04 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 118.849 1.324 . . . . 0.0 110.651 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 119.86 50.65 0.29 Allowed Glycine 0 C--N 1.336 0.583 0 C-N-CA 123.916 0.769 . . . . 0.0 113.814 179.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -132.39 155.23 48.83 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 123.907 0.883 . . . . 0.0 109.85 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.57 154.82 30.03 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 121.543 0.687 . . . . 0.0 111.232 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -54.84 -40.83 70.02 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 124.971 1.308 . . . . 0.0 114.126 -177.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -62.04 -55.2 31.59 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 121.458 0.647 . . . . 0.0 109.335 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -56.25 -45.22 80.14 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 126.816 2.046 . . . . 0.0 111.487 -179.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.5 t -65.26 -57.05 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 C-N-CA 124.151 0.98 . . . . 0.0 110.877 -179.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -55.69 -38.19 69.33 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -62.48 -51.74 66.27 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.67 -38.12 77.48 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -64.38 -43.57 94.05 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 117.492 -1.242 . . . . 0.0 110.132 179.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.93 -43.54 98.62 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 119.762 1.165 . . . . 0.0 110.572 179.645 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 86.0 mt -63.14 -49.58 82.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.68 8.47 0.86 Allowed 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 54.6 47.05 23.51 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.686 1.13 . . . . 0.0 108.566 -177.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 47.78 59.29 4.28 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 128.846 2.858 . . . . 0.0 113.197 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -128.52 130.02 46.86 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 125.627 1.571 . . . . 0.0 107.186 179.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.8 t -66.95 -54.17 27.3 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 C-N-CA 124.085 0.954 . . . . 0.0 113.06 -178.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -53.39 -48.57 68.53 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 122.383 1.087 . . . . 0.0 110.866 -178.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 25.1 t -68.57 -43.63 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.815 0 C-N-CA 123.97 0.908 . . . . 0.0 108.988 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.1 -35.67 77.64 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 119.99 1.268 . . . . 0.0 111.404 179.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 56.1 mtt85 -60.07 -45.78 91.73 Favored 'General case' 0 C--O 1.219 -0.547 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 178.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.6 m -52.72 -36.05 56.89 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.595 0.758 . . . . 0.0 112.391 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 97.2 mt -70.68 -55.77 13.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 C-N-CA 124.33 1.052 . . . . 0.0 108.776 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 24.7 mt -60.56 -31.4 70.52 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.168 0.587 . . . . 0.0 111.234 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.4 mtp85 -63.78 -29.35 70.57 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 125.37 1.468 . . . . 0.0 110.072 178.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -91.98 -44.73 8.71 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.56 1.144 . . . . 0.0 110.946 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -63.43 -47.55 81.44 Favored 'General case' 0 C--N 1.34 0.176 0 CA-C-N 118.831 0.741 . . . . 0.0 110.547 -179.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.4 t -79.24 -72.78 0.37 Allowed 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 130.61 -167.85 21.94 Favored Glycine 0 CA--C 1.533 1.182 0 N-CA-C 108.024 -2.03 . . . . 0.0 108.024 -178.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -62.26 165.22 15.44 Favored 'Trans proline' 0 CA--C 1.543 0.926 0 C-N-CA 123.069 2.512 . . . . 0.0 111.529 178.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.5 m -139.69 151.87 46.24 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 124.844 1.258 . . . . 0.0 107.745 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.7 p -145.93 146.73 31.17 Favored 'General case' 0 C--O 1.233 0.196 0 O-C-N 120.854 -1.154 . . . . 0.0 112.02 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 N-CA-C 103.709 -3.757 . . . . 0.0 103.709 -179.194 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.996 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 44.6 m -144.09 -73.71 0.26 Allowed 'General case' 0 C--O 1.232 0.183 0 C-N-CA 123.957 0.903 . . . . 0.0 109.456 -178.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 57.0 m -73.38 174.22 8.46 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.632 1.173 . . . . 0.0 111.488 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.15 45.43 0.99 Allowed Glycine 0 CA--C 1.529 0.958 0 C-N-CA 125.717 1.627 . . . . 0.0 110.364 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m -135.52 148.86 49.31 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 125.462 1.505 . . . . 0.0 111.8 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 88.2 p -169.61 177.13 4.67 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.967 1.307 . . . . 0.0 110.358 178.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.51 22.95 35.7 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 126.834 2.159 . . . . 0.0 113.711 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -120.5 157.68 28.88 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-N 119.028 1.414 . . . . 0.0 107.602 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 7.6 p -136.68 -48.35 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 C-N-CA 124.292 1.037 . . . . 0.0 110.749 -178.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.27 -45.07 92.23 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 126.785 2.034 . . . . 0.0 110.92 -178.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.21 -39.78 79.92 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.553 0.741 . . . . 0.0 111.108 178.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 15.7 mttp -66.49 -45.96 77.87 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 119.164 -0.446 . . . . 0.0 109.978 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 89.8 mt -59.78 -47.12 92.52 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 N-CA-C 106.421 -1.696 . . . . 0.0 106.421 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.03 -19.55 65.28 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.226 -0.921 . . . . 0.0 113.077 179.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 29.5 tttp -78.18 -58.96 2.98 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 120.495 1.498 . . . . 0.0 109.87 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -58.16 -33.17 68.92 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 119.571 1.078 . . . . 0.0 110.71 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 54.9 mmm -59.73 -20.73 58.36 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.859 0.864 . . . . 0.0 111.805 178.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -81.97 -29.03 39.48 Favored Glycine 0 C--N 1.334 0.443 0 N-CA-C 110.452 -1.059 . . . . 0.0 110.452 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -63.92 -35.12 79.63 Favored 'General case' 0 C--N 1.34 0.155 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 179.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 143.2 -21.44 2.27 Favored Glycine 0 CA--C 1.527 0.784 0 C-N-CA 124.249 0.928 . . . . 0.0 114.909 178.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -61.22 150.55 34.22 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.501 1.15 . . . . 0.0 113.962 -177.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.24 151.41 39.92 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 126.171 1.789 . . . . 0.0 112.194 -178.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -57.26 -41.92 80.6 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 123.605 0.762 . . . . 0.0 112.47 -179.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -67.26 -22.09 65.69 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -178.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -91.87 -43.95 9.21 Favored 'General case' 0 C--O 1.224 -0.247 0 C-N-CA 124.799 1.24 . . . . 0.0 108.908 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 77.4 t -62.5 -54.32 35.55 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 C-N-CA 124.046 0.938 . . . . 0.0 109.972 -179.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -55.86 -37.9 69.4 Favored 'General case' 0 CA--C 1.521 -0.14 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -65.48 -54.35 29.61 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.88 -40.41 76.15 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 124.095 0.958 . . . . 0.0 112.192 -179.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.59 -43.51 96.74 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 120.082 1.31 . . . . 0.0 110.56 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -61.88 -46.13 90.75 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-N 120.366 1.439 . . . . 0.0 110.213 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 71.5 mt -63.34 -32.21 55.66 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -87.45 9.56 20.39 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.966 2.106 . . . . 0.0 112.694 179.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 51.89 47.64 24.37 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.044 1.337 . . . . 0.0 110.158 -178.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 64.1 m-20 52.98 52.68 13.36 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 129.278 3.031 . . . . 0.0 112.06 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -129.46 114.6 16.34 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.92 0.888 . . . . 0.0 110.005 178.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.2 t -54.49 -44.33 67.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 125.985 1.714 . . . . 0.0 111.374 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -56.07 -38.29 70.45 Favored 'General case' 0 N--CA 1.458 -0.06 0 C-N-CA 123.424 0.69 . . . . 0.0 112.515 -178.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 57.4 t -87.63 -37.91 11.36 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 C-N-CA 123.145 0.578 . . . . 0.0 110.522 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.89 -33.92 52.46 Favored 'General case' 0 C--N 1.344 0.352 0 CA-C-N 118.286 0.494 . . . . 0.0 111.248 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 30.5 mtt85 -55.99 -49.76 72.73 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 122.993 0.517 . . . . 0.0 111.699 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.5 m -63.54 -29.35 70.62 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 124.203 1.001 . . . . 0.0 112.24 -178.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 71.6 mt -74.88 -49.22 29.95 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 178.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 63.0 mt -58.64 -33.35 69.96 Favored 'General case' 0 C--N 1.339 0.14 0 C-N-CA 123.931 0.893 . . . . 0.0 109.77 179.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -64.42 -20.21 66.01 Favored 'General case' 0 N--CA 1.462 0.139 0 C-N-CA 124.62 1.168 . . . . 0.0 111.852 178.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -88.25 -57.88 2.76 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 106.74 -1.578 . . . . 0.0 106.74 177.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -62.86 -28.5 70.07 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 -177.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 42.6 t -108.47 -0.81 20.26 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 119.94 1.245 . . . . 0.0 111.697 179.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 63.78 -156.53 43.38 Favored Glycine 0 CA--C 1.539 1.569 0 CA-C-N 119.513 1.051 . . . . 0.0 110.757 -179.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -71.51 165.99 30.76 Favored 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 123.356 2.704 . . . . 0.0 110.793 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 16.8 m -144.07 143.12 31.01 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 125.258 1.423 . . . . 0.0 107.44 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 3.7 p -156.28 147.74 22.59 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 124.41 1.084 . . . . 0.0 110.306 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.496 -1.133 0 N-CA-C 105.577 -3.009 . . . . 0.0 105.577 179.686 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.721 0 N-CA-C 110.052 -1.219 . . . . 0.0 110.052 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.1 m -142.81 -168.87 2.88 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 125.185 1.394 . . . . 0.0 108.652 179.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 m -137.66 -164.54 1.62 Allowed 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 125.761 1.624 . . . . 0.0 108.259 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.34 30.84 8.83 Favored Glycine 0 CA--C 1.525 0.696 0 CA-C-O 118.79 -1.005 . . . . 0.0 110.896 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.4 m -142.58 161.13 38.87 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 126.151 1.78 . . . . 0.0 109.372 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 m -66.42 167.38 10.73 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.955 1.302 . . . . 0.0 110.279 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.19 -133.9 2.67 Favored Glycine 0 C--N 1.334 0.451 0 O-C-N 121.154 -0.966 . . . . 0.0 111.288 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -67.82 164.03 20.5 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 122.859 0.464 . . . . 0.0 110.621 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.0 t -127.31 -42.53 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 C-N-CA 125.072 1.349 . . . . 0.0 108.463 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.61 -53.25 58.83 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.027 0.931 . . . . 0.0 110.326 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.59 -10.42 12.13 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 179.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.9 mttt -93.98 -34.67 12.96 Favored 'General case' 0 C--O 1.227 -0.129 0 O-C-N 120.975 -1.078 . . . . 0.0 108.576 178.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 94.4 mt -63.31 -58.79 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.19 -33.9 63.42 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 122.073 -0.392 . . . . 0.0 111.462 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.6 tttp -61.12 -56.48 20.37 Favored 'General case' 0 C--N 1.34 0.16 0 C-N-CA 123.112 0.565 . . . . 0.0 110.595 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.61 -35.48 81.15 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 118.083 -0.96 . . . . 0.0 110.984 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 87.8 mtp -56.95 -35.12 68.74 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 177.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.17 -22.33 62.8 Favored Glycine 0 C--N 1.342 0.909 0 C-N-CA 125.679 1.609 . . . . 0.0 113.301 178.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -71.22 -19.92 62.32 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 119.266 1.533 . . . . 0.0 107.304 177.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.04 60.24 0.53 Allowed Glycine 0 C--N 1.34 0.787 0 C-N-CA 127.933 2.682 . . . . 0.0 112.639 179.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -138.75 158.97 43.25 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 124.875 1.27 . . . . 0.0 109.699 178.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.84 154.67 31.6 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.738 0.815 . . . . 0.0 110.651 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -56.58 -44.39 81.01 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 124.034 0.934 . . . . 0.0 113.298 -179.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -60.53 -39.96 89.77 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 123.773 0.829 . . . . 0.0 111.327 -178.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -69.58 -49.1 57.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 122.131 0.967 . . . . 0.0 108.982 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 83.1 t -59.87 -46.99 93.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 C-N-CA 123.856 0.862 . . . . 0.0 111.593 -178.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.1 ttpt -57.95 -36.5 72.63 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 119.134 -0.46 . . . . 0.0 109.931 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.3 tpt180 -70.09 -50.09 44.3 Favored 'General case' 0 C--N 1.339 0.146 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 179.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.27 -45.02 76.14 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 123.89 0.876 . . . . 0.0 111.573 -179.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.13 -31.82 73.2 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 117.364 -1.303 . . . . 0.0 111.176 179.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -66.23 -50.72 62.83 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 120.799 1.636 . . . . 0.0 108.614 179.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 76.4 mt -57.99 -49.69 80.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 C-N-CA 125.049 1.34 . . . . 0.0 108.426 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.3 12.43 0.05 OUTLIER 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 127.173 2.189 . . . . 0.0 115.556 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 53.09 39.64 29.89 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 121.077 1.762 . . . . 0.0 108.648 -177.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.0 m120 52.32 40.57 29.49 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 127.984 2.514 . . . . 0.0 111.488 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 42.1 t-20 -110.38 120.97 44.15 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 124.286 1.035 . . . . 0.0 110.224 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.8 t -58.5 -48.28 85.85 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 125.353 1.461 . . . . 0.0 110.878 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -48.2 -53.7 16.05 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 126.12 1.768 . . . . 0.0 111.5 -178.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 23.4 t -72.65 -44.9 59.44 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 C-N-CA 125.948 1.699 . . . . 0.0 111.477 -178.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.79 -32.7 60.52 Favored 'General case' 0 C--N 1.34 0.188 0 O-C-N 121.593 -0.692 . . . . 0.0 111.862 -179.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -55.72 -49.66 72.44 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.659 0.783 . . . . 0.0 110.083 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.2 m -71.05 -34.37 71.17 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 118.372 -0.823 . . . . 0.0 111.278 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 54.2 mt -59.61 -53.74 44.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-N 119.327 0.967 . . . . 0.0 108.459 179.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.3 mt -60.96 -29.96 69.96 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 122.791 0.436 . . . . 0.0 111.503 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -30.74 71.77 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 122.592 0.357 . . . . 0.0 111.012 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -91.63 -38.36 12.5 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 118.761 -0.638 . . . . 0.0 109.563 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -63.59 -49.88 71.61 Favored 'General case' 0 C--N 1.342 0.257 0 CA-C-N 119.12 0.873 . . . . 0.0 109.437 179.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.5 t -76.23 -85.74 0.05 Allowed 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 147.91 -169.91 28.63 Favored Glycine 0 CA--C 1.534 1.259 0 N-CA-C 106.805 -2.518 . . . . 0.0 106.805 -178.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -70.84 154.35 63.5 Favored 'Trans proline' 0 CA--C 1.535 0.547 0 C-N-CA 123.215 2.61 . . . . 0.0 111.876 179.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.5 m -68.87 169.73 10.98 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.802 0.841 . . . . 0.0 110.85 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 33.0 m -142.93 38.76 1.46 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.245 1.018 . . . . 0.0 110.673 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.012 0 N-CA-C 108.093 -2.003 . . . . 0.0 108.093 -179.61 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.697 0 N-CA-C 111.129 -0.789 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 42.7 m -138.69 93.95 2.78 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 107.027 -1.471 . . . . 0.0 107.027 179.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 48.7 m -81.7 149.26 28.58 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 178.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.44 29.66 0.12 Allowed Glycine 0 CA--C 1.525 0.713 0 C-N-CA 124.684 1.135 . . . . 0.0 111.068 -179.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 15.0 m -140.08 -170.83 3.05 Favored 'General case' 0 C--O 1.242 0.665 0 C-N-CA 125.361 1.464 . . . . 0.0 109.342 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 5.2 m -67.03 174.11 3.28 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.482 1.513 . . . . 0.0 111.753 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.92 -154.29 25.41 Favored Glycine 0 CA--C 1.525 0.698 0 O-C-N 120.455 -1.403 . . . . 0.0 112.553 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -55.03 153.06 6.85 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 124.711 1.204 . . . . 0.0 110.432 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 44.9 t -128.1 -41.03 0.82 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 123.673 0.789 . . . . 0.0 110.317 179.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -58.32 -42.43 86.73 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 118.722 0.692 . . . . 0.0 110.175 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.26 -37.42 85.42 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 122.072 -0.392 . . . . 0.0 110.538 178.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -62.6 -37.31 85.74 Favored 'General case' 0 C--N 1.341 0.202 0 C-N-CA 123.475 0.71 . . . . 0.0 110.111 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 65.3 mt -60.92 -59.87 3.57 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 N-CA-C 106.657 -1.609 . . . . 0.0 106.657 179.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.88 -38.13 64.44 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 50.1 tttp -54.27 -56.76 15.25 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 123.927 0.891 . . . . 0.0 108.758 179.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -67.5 -36.99 82.16 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-O 118.514 -0.755 . . . . 0.0 112.161 179.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 96.4 mtp -58.4 -36.93 74.32 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 119.624 1.102 . . . . 0.0 109.672 179.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.48 -23.38 60.34 Favored Glycine 0 CA--C 1.529 0.912 0 CA-C-O 118.849 -0.973 . . . . 0.0 111.892 179.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -63.43 -33.03 74.65 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 119.68 1.74 . . . . 0.0 107.911 178.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 130.79 1.74 4.96 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 126.393 1.949 . . . . 0.0 114.01 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -79.12 155.69 28.61 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 118.961 1.38 . . . . 0.0 111.654 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.12 158.14 32.08 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.72 0.808 . . . . 0.0 109.67 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -55.74 -44.57 77.7 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 -178.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -64.79 -32.49 74.2 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -177.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -67.4 -49.76 62.45 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 123.904 0.881 . . . . 0.0 109.995 -179.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 57.6 t -63.12 -50.38 79.54 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 C-N-CA 125.411 1.484 . . . . 0.0 113.647 -178.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -57.66 -38.28 74.81 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 119.488 -0.885 . . . . 0.0 110.014 -179.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -71.51 -39.16 70.98 Favored 'General case' 0 CA--C 1.528 0.097 0 O-C-N 124.379 1.049 . . . . 0.0 109.661 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.47 -47.79 84.06 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 118.482 0.583 . . . . 0.0 110.072 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.02 -31.37 72.22 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-O 118.042 -0.98 . . . . 0.0 109.943 179.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -64.62 -57.03 10.21 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 119.95 1.25 . . . . 0.0 108.62 178.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 84.6 mt -58.67 -45.33 90.88 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 124.018 0.927 . . . . 0.0 109.869 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.08 3.59 2.01 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.929 1.692 . . . . 0.0 114.695 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 56.54 48.03 17.45 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 123.068 1.413 . . . . 0.0 109.451 -178.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 15.7 m120 61.08 17.27 7.87 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 129.091 2.956 . . . . 0.0 113.394 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 60.7 t-20 -88.0 119.62 28.55 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 120.042 1.292 . . . . 0.0 110.759 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 3.0 t -60.33 -41.21 86.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 C-N-CA 125.391 1.476 . . . . 0.0 112.111 179.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -70.43 -42.92 70.92 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 123.734 0.814 . . . . 0.0 112.115 -176.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 73.4 t -68.8 -40.52 81.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 177.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.86 -37.41 71.26 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 118.448 0.567 . . . . 0.0 109.493 178.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.36 -44.73 76.28 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.034 0.834 . . . . 0.0 109.663 178.54 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 9.4 m -73.51 -33.15 64.63 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.455 1.102 . . . . 0.0 112.02 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 62.6 mt -66.92 -49.76 70.97 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 179.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 11.9 mt -57.63 -31.82 66.63 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 123.644 0.777 . . . . 0.0 110.491 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.4 -17.73 63.69 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 124.625 1.17 . . . . 0.0 113.204 178.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -98.95 -45.76 5.85 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 119.693 1.133 . . . . 0.0 111.654 179.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -63.71 -53.26 54.01 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 118.96 0.8 . . . . 0.0 109.266 179.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 24.7 t -80.18 -76.54 0.22 Allowed 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 133.18 -160.74 24.02 Favored Glycine 0 CA--C 1.533 1.172 0 N-CA-C 108.829 -1.708 . . . . 0.0 108.829 -178.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -72.58 162.45 41.31 Favored 'Trans proline' 0 N--CA 1.456 -0.709 0 C-N-CA 122.139 1.893 . . . . 0.0 107.925 177.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 19.9 m -97.4 94.67 7.18 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 -179.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 11.2 m -75.65 60.85 1.29 Allowed 'General case' 0 C--O 1.238 0.481 0 C-N-CA 124.56 1.144 . . . . 0.0 112.91 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.671 0 N-CA-C 107.997 -2.041 . . . . 0.0 107.997 179.188 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.959 0 N-CA-C 109.203 -1.559 . . . . 0.0 109.203 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.1 p -159.49 62.97 0.38 Allowed 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 117.988 0.894 . . . . 0.0 112.8 -178.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.5 m -46.87 -49.15 20.72 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.83 -158.36 14.69 Favored Glycine 0 CA--C 1.531 1.05 0 CA-C-N 119.583 1.083 . . . . 0.0 112.46 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.2 m -56.38 157.91 4.66 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.834 0.854 . . . . 0.0 111.664 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.7 t -139.16 -88.37 0.21 Allowed 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 118.301 -0.857 . . . . 0.0 109.852 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.71 -128.78 1.2 Allowed Glycine 0 C--N 1.339 0.704 0 CA-C-N 120.5 1.5 . . . . 0.0 111.946 -179.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -36.19 129.57 0.69 Allowed 'General case' 0 C--O 1.234 0.284 0 C-N-CA 127.698 2.399 . . . . 0.0 114.678 -179.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.3 p -74.56 -34.14 34.4 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 N-CA-C 105.677 -1.972 . . . . 0.0 105.677 176.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.38 -50.43 40.21 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 129.87 3.268 . . . . 0.0 110.11 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.96 -20.44 57.62 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 125.484 1.514 . . . . 0.0 112.988 -179.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.3 mttp -93.59 -38.96 11.09 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 124.684 1.194 . . . . 0.0 108.117 178.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 73.5 mt -59.19 -54.47 33.84 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 179.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.44 -34.08 64.16 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.1 tptt -65.53 -56.31 13.02 Favored 'General case' 0 C--N 1.339 0.144 0 C-N-CA 124.438 1.095 . . . . 0.0 108.993 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.66 -38.52 90.64 Favored 'General case' 0 C--N 1.34 0.183 0 CA-C-O 118.267 -0.873 . . . . 0.0 112.234 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 86.7 mtp -57.06 -29.15 63.19 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.676 1.125 . . . . 0.0 110.194 179.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.01 -8.77 69.94 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 121.06 -1.025 . . . . 0.0 113.2 179.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -90.37 -8.21 51.28 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 119.57 1.685 . . . . 0.0 112.7 -179.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.61 48.66 0.84 Allowed Glycine 0 C--N 1.338 0.671 0 C-N-CA 124.4 1.0 . . . . 0.0 112.387 179.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -139.9 149.27 43.16 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 123.934 0.894 . . . . 0.0 109.804 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.09 159.66 26.03 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 123.5 0.72 . . . . 0.0 111.675 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -56.62 -45.11 81.67 Favored 'General case' 0 CA--C 1.53 0.188 0 O-C-N 121.903 -0.498 . . . . 0.0 111.333 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -62.45 -30.58 71.34 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.113 0.565 . . . . 0.0 112.325 -178.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -79.17 -49.67 12.19 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 124.652 1.181 . . . . 0.0 109.201 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 91.6 t -62.55 -50.24 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 C-N-CA 124.237 1.015 . . . . 0.0 110.73 -179.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -57.52 -38.05 74.04 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.4 tpt180 -65.3 -48.87 71.61 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.07 -48.62 80.92 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 122.935 0.494 . . . . 0.0 110.605 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -56.17 -46.86 79.16 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 117.58 -1.2 . . . . 0.0 110.584 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -55.67 -56.99 13.93 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.213 1.005 . . . . 0.0 109.396 179.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 94.4 mt -55.74 -46.64 79.76 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 124.344 1.057 . . . . 0.0 109.439 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.45 3.27 2.42 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.845 2.058 . . . . 0.0 114.361 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 53.94 47.09 24.25 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 122.684 1.23 . . . . 0.0 108.576 -177.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 47.23 62.12 2.56 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 129.821 3.248 . . . . 0.0 113.428 179.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 57.7 t-20 -133.06 120.63 21.56 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.178 0.991 . . . . 0.0 109.927 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.5 t -61.21 -42.69 94.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 125.213 1.405 . . . . 0.0 112.214 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -65.85 -19.72 65.98 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 124.301 1.04 . . . . 0.0 112.688 -177.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.6 t -99.86 -43.83 11.29 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 C-N-CA 125.118 1.367 . . . . 0.0 109.771 179.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.37 -31.33 69.12 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -54.51 -52.61 61.42 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.234 0.925 . . . . 0.0 111.129 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.2 m -61.44 -34.5 75.52 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 118.321 -0.847 . . . . 0.0 112.087 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 61.6 mt -62.31 -51.83 67.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-N 119.74 1.155 . . . . 0.0 108.445 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 21.4 mt -61.98 -32.83 73.32 Favored 'General case' 0 C--O 1.225 -0.221 0 C-N-CA 123.042 0.537 . . . . 0.0 110.78 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.7 mmt85 -65.6 -40.27 92.46 Favored 'General case' 0 C--O 1.226 -0.169 0 CA-C-N 118.506 0.594 . . . . 0.0 110.209 178.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -69.04 -51.66 36.69 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.285 0.493 . . . . 0.0 109.989 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -64.56 -53.37 48.9 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 118.478 0.581 . . . . 0.0 111.711 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.14 30.8 0.51 Allowed 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.685 1.194 . . . . 0.0 112.631 -178.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -49.13 -57.63 8.72 Favored Glycine 0 CA--C 1.533 1.196 0 CA-C-O 118.307 -1.274 . . . . 0.0 111.22 178.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -76.3 85.93 1.62 Allowed 'Trans proline' 0 N--CA 1.454 -0.795 0 C-N-CA 123.427 2.752 . . . . 0.0 113.378 -179.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.9 t -126.6 -77.08 0.58 Allowed 'General case' 0 C--O 1.238 0.463 0 O-C-N 121.274 -0.891 . . . . 0.0 111.804 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.1 m -118.69 89.46 3.13 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.851 1.26 . . . . 0.0 112.386 -178.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.879 0 CA-C-O 116.384 -2.342 . . . . 0.0 109.649 179.261 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.494 0 N-CA-C 110.377 -1.089 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 4.3 p -143.17 162.55 35.29 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.16 -39.44 2.35 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 123.162 0.585 . . . . 0.0 109.763 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.78 -135.94 4.59 Favored Glycine 0 C--N 1.336 0.57 0 CA-C-N 119.221 0.918 . . . . 0.0 111.313 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.96 -179.1 5.87 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.551 1.54 . . . . 0.0 109.598 -179.723 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 29.0 t -138.38 -161.34 1.17 Allowed 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 106.712 -1.588 . . . . 0.0 106.712 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.03 -82.52 1.34 Allowed Glycine 0 CA--C 1.529 0.912 0 CA-C-N 119.728 1.149 . . . . 0.0 113.534 -179.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -57.33 132.21 52.38 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 125.386 1.474 . . . . 0.0 113.971 -178.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 4.5 p -85.28 -35.06 9.29 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 C-N-CA 124.711 1.204 . . . . 0.0 108.457 178.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -54.32 -45.61 72.67 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 128.865 2.866 . . . . 0.0 110.76 -179.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.1 -36.61 68.35 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 125.128 1.371 . . . . 0.0 111.666 179.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 49.4 mttp -73.31 -42.61 62.17 Favored 'General case' 0 CA--C 1.518 -0.277 0 C-N-CA 124.47 1.108 . . . . 0.0 109.69 -179.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 87.2 mt -58.28 -52.98 52.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 179.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.21 -27.74 67.43 Favored 'General case' 0 CA--C 1.532 0.272 0 O-C-N 121.511 -0.743 . . . . 0.0 112.529 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 4.4 tptt -65.14 -66.33 0.56 Allowed 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 118.6 0.636 . . . . 0.0 110.048 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -60.63 -34.68 74.62 Favored 'General case' 0 C--O 1.224 -0.239 0 CA-C-O 118.114 -0.946 . . . . 0.0 111.466 -179.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 84.8 mtp -57.68 -28.21 63.58 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 119.856 1.207 . . . . 0.0 110.906 179.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -77.83 -20.17 74.07 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 121.249 -0.907 . . . . 0.0 112.637 179.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -78.9 -0.46 30.9 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.503 1.521 . . . . 0.0 112.542 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.28 46.16 2.06 Favored Glycine 0 C--N 1.338 0.656 0 CA-C-O 118.621 -1.099 . . . . 0.0 113.73 179.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -140.31 149.13 42.39 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 117.974 0.887 . . . . 0.0 109.71 178.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.82 162.03 26.37 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 123.66 0.784 . . . . 0.0 111.694 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -54.82 -46.26 74.55 Favored 'General case' 0 N--CA 1.461 0.108 0 C-N-CA 124.095 0.958 . . . . 0.0 112.199 -179.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -57.01 -51.42 69.34 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 122.987 0.515 . . . . 0.0 111.163 -179.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -56.92 -50.78 71.52 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 125.663 1.585 . . . . 0.0 110.788 -179.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 72.8 t -62.08 -56.76 15.58 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 C-N-CA 124.334 1.054 . . . . 0.0 110.903 -178.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 23.2 ttpt -57.22 -36.19 70.58 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 118.152 0.433 . . . . 0.0 110.238 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -64.03 -51.18 65.41 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.28 -44.05 95.68 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 123.439 0.696 . . . . 0.0 112.27 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -65.82 -34.72 78.8 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 119.792 1.178 . . . . 0.0 111.032 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -62.0 -44.08 97.49 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 119.54 1.064 . . . . 0.0 108.963 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 79.4 mt -67.74 -48.54 75.53 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 C-N-CA 125.347 1.459 . . . . 0.0 108.455 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.86 14.76 0.1 Allowed 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 129.107 2.963 . . . . 0.0 115.842 -179.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 53.0 37.48 24.78 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 120.629 1.559 . . . . 0.0 111.257 -178.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 54.95 54.28 9.22 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 126.469 1.908 . . . . 0.0 110.464 -179.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 42.1 t-20 -130.8 115.78 17.07 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 124.354 1.062 . . . . 0.0 109.557 179.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 48.7 t -57.25 -41.64 78.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 C-N-CA 125.588 1.555 . . . . 0.0 110.884 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -57.29 -28.56 63.13 Favored 'General case' 0 C--N 1.334 -0.09 0 C-N-CA 125.293 1.437 . . . . 0.0 112.45 -178.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 97.6 t -99.4 -43.81 11.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 C-N-CA 123.728 0.811 . . . . 0.0 110.68 -178.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.57 -32.48 51.01 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 118.602 0.637 . . . . 0.0 110.81 179.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -56.05 -41.91 75.76 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.186 1.395 . . . . 0.0 110.667 178.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 8.4 m -77.58 -33.14 54.01 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.974 0.91 . . . . 0.0 110.927 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 67.3 mt -65.6 -49.07 80.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 31.9 mt -59.15 -31.27 68.82 Favored 'General case' 0 C--O 1.224 -0.275 0 C-N-CA 123.332 0.653 . . . . 0.0 110.462 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.8 -25.33 66.41 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 118.42 0.555 . . . . 0.0 111.745 179.001 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -80.6 -57.79 3.41 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -63.06 -49.39 74.7 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 123.928 0.891 . . . . 0.0 112.554 -178.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 8.1 t -90.48 52.14 2.15 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 179.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -73.33 -66.68 1.96 Allowed Glycine 0 CA--C 1.527 0.791 0 N-CA-C 107.861 -2.096 . . . . 0.0 107.861 178.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.08 105.39 1.69 Allowed 'Trans proline' 0 N--CA 1.453 -0.898 0 C-N-CA 122.614 2.209 . . . . 0.0 109.548 179.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 32.0 t -149.23 -50.58 0.15 Allowed 'General case' 0 C--O 1.235 0.313 0 C-N-CA 123.887 0.875 . . . . 0.0 109.759 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 36.8 p -151.19 25.57 0.71 Allowed 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -178.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.029 0 N-CA-C 106.121 -2.792 . . . . 0.0 106.121 -179.817 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.772 0 N-CA-C 110.366 -1.094 . . . . 0.0 110.366 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.7 m -158.84 -73.7 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 O-C-N 121.069 -1.254 . . . . 0.0 108.776 179.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.2 m -67.04 -68.64 0.36 Allowed 'General case' 0 C--O 1.235 0.332 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 -178.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.0 176.11 40.25 Favored Glycine 0 CA--C 1.534 1.22 0 N-CA-C 109.035 -1.626 . . . . 0.0 109.035 -177.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 t -134.81 126.83 29.65 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 106.134 -1.802 . . . . 0.0 106.134 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.4 m 59.8 179.99 0.09 Allowed 'General case' 0 C--O 1.241 0.635 0 C-N-CA 125.099 1.36 . . . . 0.0 111.933 -177.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.39 -104.81 0.36 Allowed Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 105.908 -2.877 . . . . 0.0 105.908 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -65.06 164.76 12.29 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 116.913 0.356 . . . . 0.0 110.782 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.7 t -131.7 -62.74 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 C-N-CA 124.841 1.257 . . . . 0.0 108.792 -179.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.83 -34.65 71.78 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 120.977 -1.077 . . . . 0.0 111.221 -179.728 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.8 -16.69 59.21 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.822 0.849 . . . . 0.0 112.017 179.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 45.1 mttp -93.78 -34.78 13.06 Favored 'General case' 0 CA--C 1.517 -0.294 0 C-N-CA 124.864 1.266 . . . . 0.0 109.966 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.5 mt -58.8 -56.07 19.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.13 0 N-CA-C 107.019 -1.474 . . . . 0.0 107.019 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.91 -27.02 64.86 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 118.01 0.368 . . . . 0.0 111.93 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.0 tptt -67.03 -62.2 1.55 Allowed 'General case' 0 C--N 1.34 0.164 0 C-N-CA 124.028 0.931 . . . . 0.0 109.318 179.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.56 -35.44 76.06 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 118.411 0.55 . . . . 0.0 109.946 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 71.1 mmm -60.69 -24.94 66.01 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.508 -0.745 . . . . 0.0 110.191 178.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.8 -12.61 84.38 Favored Glycine 0 CA--C 1.525 0.694 0 C-N-CA 125.268 1.414 . . . . 0.0 111.855 179.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -80.42 -51.69 8.53 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 106.109 -1.811 . . . . 0.0 106.109 178.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 134.12 64.9 0.07 OUTLIER Glycine 0 C--N 1.336 0.546 0 C-N-CA 124.316 0.96 . . . . 0.0 111.489 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -135.51 152.05 50.95 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 125.828 1.651 . . . . 0.0 107.389 178.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.47 149.83 36.74 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 119.017 0.826 . . . . 0.0 109.523 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -49.85 -42.18 46.89 Favored 'General case' 0 CA--C 1.518 -0.259 0 C-N-CA 126.219 1.807 . . . . 0.0 113.8 -178.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -64.83 -41.45 95.73 Favored 'General case' 0 N--CA 1.449 -0.506 0 O-C-N 123.183 0.302 . . . . 0.0 111.21 -178.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -66.31 -46.77 75.8 Favored 'General case' 0 CA--C 1.517 -0.29 0 C-N-CA 126.187 1.795 . . . . 0.0 108.424 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.1 t -58.74 -57.06 12.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 123.921 0.889 . . . . 0.0 110.021 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.6 mtpt -58.21 -35.42 71.63 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 118.883 -0.579 . . . . 0.0 111.111 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -68.04 -53.22 27.38 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 -179.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.63 -44.12 76.83 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 123.899 0.879 . . . . 0.0 110.498 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.46 -39.97 92.81 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 116.774 -1.584 . . . . 0.0 110.163 179.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -64.58 -52.25 58.58 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 120.869 1.668 . . . . 0.0 109.544 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 94.5 mt -53.74 -46.38 62.34 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 124.26 1.024 . . . . 0.0 108.33 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.97 9.55 0.53 Allowed 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 126.765 2.026 . . . . 0.0 114.34 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 56.28 31.76 19.12 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 120.605 1.548 . . . . 0.0 110.605 -178.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 12.5 m120 65.18 28.62 12.1 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 130.126 3.37 . . . . 0.0 112.105 -178.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 56.2 t-20 -98.27 121.81 40.66 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 120.64 -1.287 . . . . 0.0 109.582 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 24.9 t -61.4 -46.09 97.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 CA-C-N 119.014 0.824 . . . . 0.0 110.525 179.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -59.93 -30.8 69.3 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 113.113 0.783 . . . . 0.0 113.113 -178.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 25.8 t -87.7 -39.18 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.67 -31.53 70.77 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 123.613 0.765 . . . . 0.0 110.93 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 48.3 mtt180 -54.79 -54.65 39.36 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 124.002 0.921 . . . . 0.0 108.624 178.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.5 m -58.14 -40.92 82.53 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.629 0.772 . . . . 0.0 112.25 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 72.8 mt -61.4 -49.5 84.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 C-N-CA 123.516 0.726 . . . . 0.0 109.52 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 24.4 mt -61.42 -29.28 69.84 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 117.764 -1.112 . . . . 0.0 111.163 -179.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 67.4 mtt180 -67.35 -32.54 73.56 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 120.112 1.324 . . . . 0.0 110.589 178.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -75.22 -44.49 45.98 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 119.267 -0.397 . . . . 0.0 110.396 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -70.85 -52.53 19.74 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 118.467 0.576 . . . . 0.0 111.417 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 35.1 t -85.08 75.51 10.35 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 124.7 1.2 . . . . 0.0 108.663 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -77.92 -178.84 49.36 Favored Glycine 0 CA--C 1.537 1.438 0 N-CA-C 108.185 -1.966 . . . . 0.0 108.185 177.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -58.68 139.95 92.88 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.759 1.64 . . . . 0.0 108.063 178.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.53 35.65 0.79 Allowed 'General case' 0 C--O 1.241 0.624 0 CA-C-O 121.261 0.553 . . . . 0.0 111.473 -178.53 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.2 t 63.91 170.88 0.17 Allowed 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 126.058 1.743 . . . . 0.0 111.213 -179.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.232 0 C-N-CA 128.679 3.038 . . . . 0.0 105.837 -179.811 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.76 0 N-CA-C 110.575 -1.01 . . . . 0.0 110.575 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 70.8 m -129.14 -13.23 4.52 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.749 1.619 . . . . 0.0 113.431 -179.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 23.4 m -132.61 -53.16 0.94 Allowed 'General case' 0 C--O 1.234 0.273 0 C-N-CA 124.059 0.943 . . . . 0.0 110.401 -179.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.49 -166.89 54.77 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 123.32 0.486 . . . . 0.0 112.342 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 8.8 t -145.26 136.84 25.29 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 105.675 -1.972 . . . . 0.0 105.675 179.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 67.2 m 60.19 174.28 0.09 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.605 1.562 . . . . 0.0 112.095 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.61 -134.03 4.96 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 109.021 -1.632 . . . . 0.0 109.021 -179.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -65.25 168.61 6.68 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.647 1.179 . . . . 0.0 109.43 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 19.5 t -127.16 -39.3 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 C-N-CA 122.972 0.509 . . . . 0.0 110.088 179.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.93 -46.64 89.89 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 121.344 -0.847 . . . . 0.0 109.924 -179.39 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.47 -14.19 55.76 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.826 -0.546 . . . . 0.0 111.682 178.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 54.2 mttp -87.75 -46.48 9.44 Favored 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 106.703 -1.591 . . . . 0.0 106.703 178.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 67.8 mt -57.48 -52.41 57.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 N-CA-C 106.595 -1.632 . . . . 0.0 106.595 178.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.45 -12.77 16.04 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 25.6 tptt -79.73 -62.72 1.6 Allowed 'General case' 0 C--O 1.233 0.196 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 178.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -58.39 -33.56 69.76 Favored 'General case' 0 C--O 1.224 -0.268 0 C-N-CA 123.715 0.806 . . . . 0.0 110.446 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 63.0 mmm -56.2 -23.26 34.36 Favored 'General case' 0 CA--C 1.535 0.365 0 CA-C-N 118.568 0.622 . . . . 0.0 111.94 178.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -84.12 -20.76 58.53 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 121.005 -1.059 . . . . 0.0 112.253 178.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -78.89 -2.74 41.3 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 125.524 1.53 . . . . 0.0 113.962 -178.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.5 42.31 3.2 Favored Glycine 0 CA--C 1.53 0.987 0 CA-C-O 119.28 -0.733 . . . . 0.0 113.232 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -126.99 153.93 45.26 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 118.202 1.001 . . . . 0.0 109.516 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.34 148.82 30.5 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.032 0.933 . . . . 0.0 111.946 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -54.27 -42.44 69.99 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 123.729 0.811 . . . . 0.0 111.261 -179.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -55.75 -56.57 18.89 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.33 1.052 . . . . 0.0 109.28 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -59.56 -47.1 86.85 Favored 'General case' 0 CA--C 1.517 -0.301 0 C-N-CA 126.317 1.847 . . . . 0.0 111.159 -179.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 69.9 t -59.99 -53.39 49.27 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 C-N-CA 123.293 0.637 . . . . 0.0 110.024 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 4.4 mtpt -58.51 -39.09 79.12 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 179.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -63.12 -54.54 36.15 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.81 -45.34 70.76 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 125.646 1.578 . . . . 0.0 111.391 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.0 -41.57 96.77 Favored 'General case' 0 C--N 1.34 0.172 0 CA-C-N 120.016 1.28 . . . . 0.0 111.502 -179.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -60.49 -45.53 93.42 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 119.151 0.887 . . . . 0.0 111.124 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 54.5 mt -65.16 -49.31 79.87 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 C-N-CA 126.055 1.742 . . . . 0.0 107.891 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.17 13.18 0.05 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 129.244 3.018 . . . . 0.0 115.162 -179.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 55.65 33.14 20.66 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 120.653 1.569 . . . . 0.0 110.114 -178.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 3.7 m120 59.16 48.68 10.16 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 128.166 2.587 . . . . 0.0 109.798 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 -126.21 118.87 26.07 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 124.57 1.148 . . . . 0.0 111.377 -179.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.47 -41.78 88.84 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.143 0 C-N-CA 124.607 1.163 . . . . 0.0 110.087 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -58.98 -24.5 62.73 Favored 'General case' 0 C--O 1.231 0.105 0 C-N-CA 123.522 0.729 . . . . 0.0 112.774 -178.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 25.9 t -99.85 -39.83 7.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.53 -33.03 59.29 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.163 0.585 . . . . 0.0 111.051 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 52.4 mtt180 -56.01 -51.95 65.95 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 178.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.6 m -59.55 -35.77 74.86 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.702 1.201 . . . . 0.0 113.708 -179.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 75.3 mt -65.68 -55.68 18.6 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 C-N-CA 124.641 1.176 . . . . 0.0 108.749 -179.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 42.6 mt -57.41 -30.25 64.8 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 124.38 1.072 . . . . 0.0 112.261 -178.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -64.72 -32.76 74.58 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 119.054 0.843 . . . . 0.0 110.943 178.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -83.08 -48.99 10.0 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-O 118.992 -0.528 . . . . 0.0 110.648 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -63.95 -51.91 62.2 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 118.417 0.553 . . . . 0.0 111.685 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.93 61.23 6.71 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.548 1.139 . . . . 0.0 108.545 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.25 -179.55 12.92 Favored Glycine 0 CA--C 1.533 1.21 0 C-N-CA 125.138 1.352 . . . . 0.0 112.465 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -60.73 110.63 0.86 Allowed 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 123.612 2.875 . . . . 0.0 111.241 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 19.4 t -120.71 16.86 11.94 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.163 1.785 . . . . 0.0 111.496 -179.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 3.9 t 63.14 171.76 0.15 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 127.3 2.24 . . . . 0.0 113.777 179.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.017 0 N-CA-C 107.244 -2.342 . . . . 0.0 107.244 -179.495 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.129 0 N-CA-C 110.598 -1.001 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 m -59.91 132.6 54.45 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 179.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 m 79.25 -6.54 1.85 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 127.493 2.317 . . . . 0.0 112.351 -178.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.89 150.46 51.53 Favored Glycine 0 CA--C 1.527 0.806 0 C-N-CA 124.325 0.964 . . . . 0.0 114.82 -178.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.1 t -167.18 149.73 6.17 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 126.273 1.829 . . . . 0.0 108.232 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.0 t -140.13 148.43 41.66 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 126.858 2.063 . . . . 0.0 105.548 178.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.54 -70.12 0.39 Allowed Glycine 0 CA--C 1.523 0.578 0 CA-C-O 119.359 -0.689 . . . . 0.0 112.667 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -83.44 171.21 13.67 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 118.521 1.16 . . . . 0.0 111.343 -179.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 64.5 t -136.08 -53.92 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 C-N-CA 123.969 0.908 . . . . 0.0 110.563 -179.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -60.74 -37.76 82.85 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 119.996 1.271 . . . . 0.0 111.785 -179.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.89 -12.51 25.56 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.475 0.71 . . . . 0.0 112.235 178.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.4 mttt -95.19 -44.72 7.5 Favored 'General case' 0 C--O 1.222 -0.342 0 C-N-CA 126.357 1.863 . . . . 0.0 107.668 178.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.8 mt -58.18 -54.15 36.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 178.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.75 -27.91 63.46 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 122.472 0.309 . . . . 0.0 111.585 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.7 tptp -67.38 -63.63 1.02 Allowed 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.359 1.064 . . . . 0.0 108.654 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.99 -36.99 78.38 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-O 118.28 -0.866 . . . . 0.0 110.808 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 78.4 mtp -58.4 -27.19 64.05 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 120.059 1.3 . . . . 0.0 110.406 178.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.93 -15.44 79.7 Favored Glycine 0 CA--C 1.526 0.77 0 O-C-N 121.222 -0.924 . . . . 0.0 111.7 178.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -82.96 -0.92 50.87 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 119.427 1.614 . . . . 0.0 112.166 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.08 60.84 0.95 Allowed Glycine 0 C--N 1.338 0.653 0 C-N-CA 125.65 1.595 . . . . 0.0 112.807 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -146.42 149.83 34.46 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 117.751 0.775 . . . . 0.0 110.482 179.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.35 157.09 30.84 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 123.854 0.862 . . . . 0.0 108.925 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -57.8 -41.84 82.97 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 121.493 -0.754 . . . . 0.0 113.018 -178.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -58.92 -45.81 89.45 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 119.044 0.838 . . . . 0.0 111.944 -178.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -64.88 -49.28 71.1 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 125.344 1.458 . . . . 0.0 109.94 -179.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.8 t -59.32 -47.65 89.76 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.226 0 C-N-CA 123.98 0.912 . . . . 0.0 110.426 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.2 tttt -60.24 -39.3 86.23 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 118.741 -0.647 . . . . 0.0 109.908 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -61.8 -54.06 47.39 Favored 'General case' 0 C--N 1.342 0.274 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 -179.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.83 -46.75 84.28 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 123.335 0.654 . . . . 0.0 112.201 -179.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -60.99 -45.83 93.2 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.967 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -56.61 -51.98 66.61 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.796 0.838 . . . . 0.0 109.872 179.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 69.6 mt -57.67 -45.89 86.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.32 10.65 0.74 Allowed 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 55.19 37.56 29.08 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 121.903 2.138 . . . . 0.0 108.498 -177.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 54.33 48.78 19.96 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 127.711 2.404 . . . . 0.0 110.322 -178.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 54.8 t30 -115.7 103.91 11.16 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 124.484 1.113 . . . . 0.0 109.894 -179.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 24.9 t -48.28 -48.02 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 125.801 1.64 . . . . 0.0 112.157 -179.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -56.35 -28.44 59.07 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.409 1.084 . . . . 0.0 113.281 -179.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 94.9 t -99.36 -38.53 6.94 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-N 118.628 0.649 . . . . 0.0 110.024 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.62 -35.29 65.71 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 123.533 0.733 . . . . 0.0 110.888 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -59.66 -48.39 81.85 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.7 m -64.06 -34.64 78.48 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 123.307 0.643 . . . . 0.0 110.958 179.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 88.9 mt -64.71 -53.81 37.63 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 179.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 29.7 mt -58.82 -29.69 67.08 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 123.186 0.594 . . . . 0.0 110.196 179.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -65.19 -40.46 94.27 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 117.747 -1.12 . . . . 0.0 110.831 178.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -70.22 -46.47 64.44 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 119.609 1.095 . . . . 0.0 109.924 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -63.3 -30.4 71.54 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 122.431 0.293 . . . . 0.0 110.4 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.0 t -115.2 51.34 0.92 Allowed 'General case' 0 C--O 1.237 0.418 0 C-N-CA 126.506 1.922 . . . . 0.0 108.433 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -160.71 -172.99 28.74 Favored Glycine 0 CA--C 1.527 0.782 0 C-N-CA 124.244 0.926 . . . . 0.0 111.076 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -77.56 174.25 12.95 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 124.54 3.494 . . . . 0.0 112.18 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 m 59.8 176.47 0.09 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.304 1.842 . . . . 0.0 112.289 179.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.4 p -151.35 -171.25 3.88 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 123.875 0.87 . . . . 0.0 109.8 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.182 0 N-CA-C 106.208 -2.757 . . . . 0.0 106.208 179.632 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.652 0 CA-C-O 118.54 -1.144 . . . . 0.0 110.431 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 22.2 m -59.22 139.73 56.66 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 178.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 50.0 m 62.57 0.74 0.67 Allowed 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.935 1.294 . . . . 0.0 114.385 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.67 165.68 53.54 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 34.6 t -168.38 179.36 4.46 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 125.198 1.399 . . . . 0.0 107.436 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -157.63 132.01 8.37 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 102.673 -3.084 . . . . 0.0 102.673 178.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.34 -105.45 0.23 Allowed Glycine 0 CA--C 1.521 0.449 0 CA-C-O 118.985 -0.897 . . . . 0.0 111.829 -179.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -59.07 162.41 4.35 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 124.51 1.124 . . . . 0.0 112.535 -178.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 42.1 t -125.28 -57.15 2.01 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.088 0 C-N-CA 123.732 0.813 . . . . 0.0 112.402 -178.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -53.3 -39.71 64.21 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 119.274 0.943 . . . . 0.0 112.085 -178.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.09 -34.2 77.5 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.434 0.694 . . . . 0.0 111.408 178.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 51.7 mttp -69.99 -40.67 75.16 Favored 'General case' 0 CA--C 1.521 -0.141 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 69.4 mt -60.04 -49.31 84.52 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.128 0 N-CA-C 106.492 -1.67 . . . . 0.0 106.492 178.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.74 -41.93 78.36 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 118.085 0.402 . . . . 0.0 110.481 179.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 9.8 tptp -55.9 -51.27 68.19 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 123.217 0.607 . . . . 0.0 110.341 179.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -69.58 -45.75 67.94 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 117.92 -1.038 . . . . 0.0 111.325 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 87.4 mtp -53.4 -38.6 63.58 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 119.758 1.163 . . . . 0.0 110.102 179.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.58 -16.89 38.87 Favored Glycine 0 CA--C 1.529 0.927 0 CA-C-O 118.157 -1.357 . . . . 0.0 113.219 179.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -89.74 -9.33 49.77 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 120.19 1.995 . . . . 0.0 110.166 178.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.78 66.58 0.81 Allowed Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 124.68 1.134 . . . . 0.0 113.512 178.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -143.03 152.11 41.55 Favored 'General case' 0 C--O 1.24 0.574 0 N-CA-C 107.104 -1.443 . . . . 0.0 107.104 177.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.6 149.31 38.3 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 123.313 0.645 . . . . 0.0 110.478 -179.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -54.83 -41.93 71.28 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.05 0.54 . . . . 0.0 112.113 -179.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -62.65 -41.0 98.79 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 118.313 0.506 . . . . 0.0 111.895 -178.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -67.45 -49.24 64.53 Favored 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 125.984 1.714 . . . . 0.0 109.337 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 84.8 t -59.69 -50.88 78.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 114.224 -1.353 . . . . 0.0 109.913 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 65.0 tttt -56.08 -40.46 73.66 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 25.4 tpt180 -65.97 -48.52 71.01 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.77 -48.6 77.5 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.347 1.059 . . . . 0.0 111.648 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.55 -37.51 87.8 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-O 118.421 -0.799 . . . . 0.0 110.169 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -60.26 -49.63 76.83 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 124.011 0.924 . . . . 0.0 109.573 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 64.8 mt -61.69 -49.17 85.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 179.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.29 4.91 1.11 Allowed 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 126.308 1.843 . . . . 0.0 114.791 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 51.59 43.08 30.0 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 120.577 1.535 . . . . 0.0 109.807 -178.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 57.68 52.03 8.71 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 128.966 2.906 . . . . 0.0 111.179 -179.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -116.63 114.28 23.87 Favored 'General case' 0 CA--C 1.527 0.092 0 N-CA-C 107.332 -1.358 . . . . 0.0 107.332 178.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 40.7 t -59.42 -43.64 90.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 C-N-CA 124.958 1.303 . . . . 0.0 112.926 -178.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -61.43 -55.36 32.21 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 123.737 0.815 . . . . 0.0 110.543 -178.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 58.5 t -62.25 -42.07 93.91 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 C-N-CA 123.358 0.663 . . . . 0.0 109.287 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.22 -35.82 70.14 Favored 'General case' 0 C--N 1.343 0.3 0 CA-C-N 118.935 0.788 . . . . 0.0 110.138 179.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -58.35 -55.96 28.22 Favored 'General case' 0 C--N 1.342 0.252 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 178.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 20.3 m -60.92 -35.47 76.77 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.059 0.943 . . . . 0.0 111.464 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 62.0 mt -63.38 -55.43 23.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-N 119.692 1.133 . . . . 0.0 108.312 179.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 20.4 mt -59.99 -26.52 66.11 Favored 'General case' 0 C--O 1.226 -0.179 0 C-N-CA 122.943 0.497 . . . . 0.0 110.184 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -34.57 77.85 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 117.924 -1.036 . . . . 0.0 111.741 179.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -82.98 -46.84 12.41 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 123.757 0.823 . . . . 0.0 110.32 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -63.6 -36.55 84.17 Favored 'General case' 0 C--N 1.341 0.205 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 -179.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 3.0 t -117.43 72.77 0.85 Allowed 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 125.72 1.608 . . . . 0.0 107.274 -179.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 171.7 -176.81 44.77 Favored Glycine 0 CA--C 1.527 0.828 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -78.12 175.79 10.73 Favored 'Trans proline' 0 N--CA 1.455 -0.749 0 C-N-CA 123.557 2.838 . . . . 0.0 110.003 179.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 9.3 m 77.21 137.17 0.06 Allowed 'General case' 0 C--O 1.234 0.289 0 C-N-CA 127.047 2.139 . . . . 0.0 110.799 179.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 34.8 p -127.65 -170.38 2.22 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 124.792 1.237 . . . . 0.0 110.271 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.785 0 N-CA-C 105.332 -3.107 . . . . 0.0 105.332 179.236 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.757 0 N-CA-C 109.88 -1.288 . . . . 0.0 109.88 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.1 m -152.59 154.66 35.83 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.606 1.562 . . . . 0.0 109.66 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.9 t -159.0 90.83 1.0 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.288 1.435 . . . . 0.0 107.632 178.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.34 1.35 72.8 Favored Glycine 0 CA--C 1.529 0.93 0 C-N-CA 123.603 0.621 . . . . 0.0 111.944 179.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -73.44 176.71 5.81 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 126.018 1.727 . . . . 0.0 112.125 -179.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -122.57 -149.9 0.44 Allowed 'General case' 0 C--O 1.237 0.406 0 N-CA-C 106.229 -1.767 . . . . 0.0 106.229 179.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.81 -4.73 6.13 Favored Glycine 0 CA--C 1.523 0.577 0 C-N-CA 125.156 1.36 . . . . 0.0 112.532 179.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -145.38 154.4 42.25 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 119.027 1.413 . . . . 0.0 109.474 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 62.6 t -133.15 -55.66 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.175 0 C-N-CA 127.146 2.178 . . . . 0.0 107.657 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -57.32 -47.82 80.56 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 123.638 0.775 . . . . 0.0 111.261 -179.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.08 -9.8 18.48 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 179.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 53.3 mttt -91.05 -33.07 15.65 Favored 'General case' 0 C--O 1.227 -0.108 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 178.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.4 mt -59.88 -57.73 10.39 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 177.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.94 -17.3 36.71 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.126 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -74.75 -65.01 0.92 Allowed 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 178.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -59.15 -37.09 76.44 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 118.066 -0.969 . . . . 0.0 112.677 -178.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 91.6 mtp -55.59 -35.71 66.09 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.558 1.072 . . . . 0.0 110.392 179.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.32 -12.55 66.3 Favored Glycine 0 C--N 1.341 0.829 0 C-N-CA 123.831 0.729 . . . . 0.0 113.127 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -86.97 0.53 54.99 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.073 1.437 . . . . 0.0 110.222 178.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.6 53.84 1.9 Allowed Glycine 0 C--N 1.337 0.59 0 C-N-CA 125.887 1.708 . . . . 0.0 113.996 178.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -136.57 158.86 43.45 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 124.273 1.029 . . . . 0.0 109.756 178.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.44 150.49 23.12 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 122.825 0.45 . . . . 0.0 110.101 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -51.74 -43.43 62.9 Favored 'General case' 0 CA--C 1.521 -0.159 0 C-N-CA 124.919 1.287 . . . . 0.0 113.518 -178.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -61.02 -41.34 96.36 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 118.239 0.472 . . . . 0.0 111.62 -177.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -70.79 -38.9 73.41 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 124.357 1.063 . . . . 0.0 109.483 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 79.8 t -64.02 -43.86 97.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 O-C-N 121.118 -0.989 . . . . 0.0 109.13 179.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -61.45 -32.32 72.29 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.455 -0.778 . . . . 0.0 110.063 179.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.3 tpt180 -71.82 -50.2 31.82 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.358 1.063 . . . . 0.0 108.834 178.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.06 -49.11 78.04 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 124.911 1.284 . . . . 0.0 113.158 -178.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.06 -34.28 77.73 Favored 'General case' 0 C--N 1.34 0.184 0 CA-C-O 117.844 -1.074 . . . . 0.0 111.882 -178.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -58.71 -53.17 61.37 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 119.431 1.014 . . . . 0.0 108.91 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 65.1 mt -59.44 -48.03 88.61 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.44 10.18 0.37 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.531 1.933 . . . . 0.0 116.006 -179.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 52.1 42.8 30.74 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 121.546 1.976 . . . . 0.0 110.092 -178.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 51.47 44.37 29.05 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 126.434 1.894 . . . . 0.0 111.441 -178.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -115.6 114.3 24.73 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 178.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 27.8 t -55.27 -45.47 77.69 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 C-N-CA 124.424 1.09 . . . . 0.0 110.424 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -52.39 -37.79 57.35 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.918 1.287 . . . . 0.0 112.818 -178.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 98.3 t -90.43 -39.6 12.11 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.186 0 C-N-CA 123.216 0.607 . . . . 0.0 110.279 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.35 -34.11 66.3 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 118.788 0.722 . . . . 0.0 110.194 179.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -56.89 -53.53 56.86 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 107.486 -1.302 . . . . 0.0 107.486 178.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.6 m -59.23 -48.03 83.13 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 124.304 1.042 . . . . 0.0 110.824 179.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 56.1 mt -53.83 -46.61 63.56 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 C-N-CA 123.255 0.622 . . . . 0.0 110.699 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.6 mt -65.46 -20.12 66.22 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 118.574 -0.727 . . . . 0.0 111.951 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.7 mtp180 -67.0 -35.45 79.97 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 119.941 1.246 . . . . 0.0 108.109 178.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -82.6 -44.69 15.5 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 119.128 -0.463 . . . . 0.0 111.298 178.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -68.71 -22.88 64.32 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -179.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.6 t -135.67 -118.15 0.17 Allowed 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 104.536 -2.394 . . . . 0.0 104.536 179.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 140.51 -165.4 26.1 Favored Glycine 0 CA--C 1.532 1.129 0 CA-C-N 120.123 1.329 . . . . 0.0 110.284 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -76.8 134.44 14.89 Favored 'Trans proline' 0 CA--C 1.538 0.698 0 C-N-CA 124.022 3.148 . . . . 0.0 108.96 179.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.0 m -141.62 103.53 4.39 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 118.45 0.568 . . . . 0.0 111.599 -179.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.0 t -71.56 151.98 43.36 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 179.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.732 -1.038 . . . . 0.0 110.96 -179.74 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.236 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m -135.66 104.17 5.69 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 104.214 -2.513 . . . . 0.0 104.214 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.0 t -137.48 45.79 2.17 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.361 0.664 . . . . 0.0 111.727 -177.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.82 65.97 3.64 Favored Glycine 0 CA--C 1.528 0.9 0 N-CA-C 108.014 -2.034 . . . . 0.0 108.014 178.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 13.3 m -130.07 -174.53 3.35 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 127.031 2.132 . . . . 0.0 109.598 -178.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 3.1 t -142.01 -176.4 4.78 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 121.451 -0.781 . . . . 0.0 110.511 178.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.59 -113.68 0.51 Allowed Glycine 0 CA--C 1.525 0.712 0 N-CA-C 108.506 -1.838 . . . . 0.0 108.506 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -45.8 139.46 4.13 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 127.24 2.216 . . . . 0.0 111.807 -179.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.9 t -105.08 -57.1 4.62 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 C-N-CA 125.087 1.355 . . . . 0.0 110.661 -179.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -55.71 -34.36 65.04 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 119.632 1.105 . . . . 0.0 113.484 -178.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.82 -39.63 81.77 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 35.5 mttp -68.16 -44.5 75.85 Favored 'General case' 0 CA--C 1.518 -0.283 0 C-N-CA 124.763 1.225 . . . . 0.0 109.866 179.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 66.7 mt -55.44 -59.04 2.87 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.39 -32.05 56.28 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.67 -0.644 . . . . 0.0 112.686 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -58.11 -58.83 6.72 Favored 'General case' 0 C--N 1.341 0.22 0 C-N-CA 123.924 0.89 . . . . 0.0 109.059 179.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -67.15 -36.36 81.68 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-O 118.371 -0.824 . . . . 0.0 111.763 -179.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 95.6 mtp -55.56 -38.24 69.07 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 119.5 1.045 . . . . 0.0 110.448 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.17 -20.86 65.5 Favored Glycine 0 CA--C 1.525 0.713 0 CA-C-O 119.643 -0.532 . . . . 0.0 112.659 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -76.82 -5.0 46.48 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.732 1.266 . . . . 0.0 112.215 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.88 -3.69 25.8 Favored Glycine 0 C--N 1.335 0.509 0 CA-C-O 117.975 -1.458 . . . . 0.0 115.91 178.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -82.53 156.05 24.21 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 119.364 1.582 . . . . 0.0 111.36 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.28 158.38 24.8 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.842 0.857 . . . . 0.0 108.833 179.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -52.08 -48.12 64.85 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 125.312 1.445 . . . . 0.0 112.818 -178.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -61.18 -44.57 97.08 Favored 'General case' 0 CA--C 1.521 -0.144 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -178.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -59.52 -47.55 85.08 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 124.717 1.207 . . . . 0.0 109.496 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 97.4 t -64.37 -50.5 76.08 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.757 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 10.0 mtpt -58.14 -35.34 71.37 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 118.208 0.458 . . . . 0.0 111.415 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 24.3 tpt180 -65.67 -59.63 3.73 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.21 -42.1 76.68 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 124.414 1.086 . . . . 0.0 113.199 -178.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -63.21 -42.26 99.25 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 117.435 -1.269 . . . . 0.0 111.269 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -62.96 -49.52 74.39 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 120.407 1.458 . . . . 0.0 110.097 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 70.3 mt -55.82 -48.91 77.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.9 10.22 0.3 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.969 1.708 . . . . 0.0 114.907 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 55.57 38.4 30.15 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 120.982 1.719 . . . . 0.0 109.597 -178.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 54.28 49.39 18.66 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 128.574 2.749 . . . . 0.0 110.3 -178.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -116.75 118.21 31.91 Favored 'General case' 0 C--N 1.333 -0.131 0 C-N-CA 124.878 1.271 . . . . 0.0 107.722 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 65.5 t -65.25 -44.55 95.03 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-N 118.656 0.662 . . . . 0.0 112.477 -179.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -55.44 -42.86 74.81 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.238 0.615 . . . . 0.0 110.455 -178.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 88.7 t -76.41 -47.29 30.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 C-N-CA 123.48 0.712 . . . . 0.0 109.627 179.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.38 -32.15 64.5 Favored 'General case' 0 C--N 1.341 0.197 0 CA-C-N 118.793 0.724 . . . . 0.0 111.624 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -59.76 -50.41 73.92 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 178.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 69.5 m -63.05 -36.15 82.63 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.84 0.856 . . . . 0.0 110.739 179.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 58.3 mt -60.64 -54.91 28.68 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 N-CA-C 107.113 -1.44 . . . . 0.0 107.113 178.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 28.1 mt -60.99 -30.34 70.23 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 124.118 0.967 . . . . 0.0 111.507 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 53.2 mtp180 -68.15 -37.42 81.01 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 118.329 0.513 . . . . 0.0 110.021 179.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.96 -39.36 23.79 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 123.651 0.78 . . . . 0.0 110.476 178.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -69.36 -37.05 77.43 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.979 1.312 . . . . 0.0 113.456 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 22.7 t -108.3 -71.5 0.76 Allowed 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 123.347 0.659 . . . . 0.0 109.394 -179.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 111.18 178.6 20.35 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 107.919 -2.072 . . . . 0.0 107.919 -177.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -73.35 145.8 39.0 Favored 'Trans proline' 0 N--CA 1.448 -1.147 0 C-N-CA 122.061 1.84 . . . . 0.0 109.211 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 58.1 m -137.96 142.35 40.52 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 124.503 1.121 . . . . 0.0 108.431 -179.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 47.6 t -156.64 157.1 34.63 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 125.221 1.408 . . . . 0.0 108.411 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.289 0 C-N-CA 124.981 1.277 . . . . 0.0 110.159 179.906 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.754 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.8 p -168.3 87.62 0.22 Allowed 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 103.27 -2.863 . . . . 0.0 103.27 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.0 m -68.83 167.0 16.47 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.02 0.438 . . . . 0.0 110.906 -178.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.27 169.69 49.93 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 121.823 -0.548 . . . . 0.0 112.405 -179.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 53.65 40.08 30.99 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.862 2.065 . . . . 0.0 113.598 179.116 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.1 t -57.0 -54.76 43.04 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.189 -0.944 . . . . 0.0 111.92 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.48 -25.63 0.59 Allowed Glycine 0 CA--C 1.527 0.801 0 CA-C-N 119.918 1.235 . . . . 0.0 115.75 179.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -95.28 148.67 22.18 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 119.199 1.499 . . . . 0.0 111.105 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.0 p -122.76 -47.6 2.29 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 C-N-CA 124.454 1.102 . . . . 0.0 109.236 179.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -58.04 -35.92 71.99 Favored 'General case' 0 N--CA 1.466 0.364 0 O-C-N 121.727 -0.608 . . . . 0.0 111.27 -179.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.85 -40.62 95.44 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 121.369 0.604 . . . . 0.0 109.818 178.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 48.4 mttp -66.58 -42.54 86.85 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.485 0.714 . . . . 0.0 109.434 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 85.9 mt -59.05 -52.75 56.96 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.137 0 N-CA-C 107.133 -1.432 . . . . 0.0 107.133 179.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.8 -44.56 77.93 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 117.787 0.267 . . . . 0.0 110.571 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.7 tttp -56.46 -56.24 23.71 Favored 'General case' 0 C--N 1.34 0.165 0 C-N-CA 123.399 0.68 . . . . 0.0 110.305 179.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.59 -35.04 78.26 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 118.904 0.774 . . . . 0.0 111.931 179.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 84.3 mtp -60.83 -26.18 67.15 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 119.708 1.14 . . . . 0.0 108.168 177.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.12 -2.03 65.15 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 125.918 1.723 . . . . 0.0 112.009 178.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -97.75 2.75 49.89 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.226 1.513 . . . . 0.0 109.322 178.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.94 50.08 4.27 Favored Glycine 0 C--N 1.341 0.807 0 C-N-CA 124.838 1.208 . . . . 0.0 113.286 178.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -133.92 150.06 51.31 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-N 118.142 0.971 . . . . 0.0 108.95 179.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.23 151.69 44.06 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-O 121.226 0.536 . . . . 0.0 109.575 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -53.64 -42.81 68.2 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 123.016 0.526 . . . . 0.0 112.255 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -65.09 -24.86 67.56 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -178.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -83.83 -43.38 15.43 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.4 t -63.33 -54.25 35.37 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 C-N-CA 124.756 1.222 . . . . 0.0 111.041 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt -57.12 -37.94 72.72 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -61.6 -52.97 62.2 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.68 -44.13 90.16 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 123.767 0.827 . . . . 0.0 112.309 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -60.26 -46.4 89.95 Favored 'General case' 0 C--N 1.34 0.176 0 CA-C-O 118.497 -0.763 . . . . 0.0 111.063 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -56.76 -53.34 58.88 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 124.046 0.938 . . . . 0.0 110.29 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.9 mt -57.13 -45.22 84.32 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 C-N-CA 123.885 0.874 . . . . 0.0 108.976 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.33 4.57 2.19 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 127.117 2.167 . . . . 0.0 115.035 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 56.88 41.13 28.35 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 120.371 1.441 . . . . 0.0 108.082 -177.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 54.01 58.8 4.71 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 128.953 2.901 . . . . 0.0 111.1 -178.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 36.2 t-20 -122.81 121.94 37.48 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 124.804 1.242 . . . . 0.0 108.533 179.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.7 t -62.86 -46.65 95.81 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.191 0 C-N-CA 123.617 0.767 . . . . 0.0 112.243 -179.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -60.86 -46.48 90.43 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 118.733 0.697 . . . . 0.0 111.042 -178.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 47.4 t -69.11 -41.66 81.55 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 179.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.32 -40.24 89.88 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-N 119.606 1.093 . . . . 0.0 110.577 179.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -59.22 -48.73 80.54 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 178.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.0 m -59.56 -39.6 84.59 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.259 1.024 . . . . 0.0 110.938 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 74.2 mt -64.6 -48.94 82.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-N 119.562 1.074 . . . . 0.0 108.42 178.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.9 mt -63.67 -28.08 69.66 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 121.811 -0.556 . . . . 0.0 110.059 179.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.2 mmt180 -70.42 -14.41 62.54 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 123.949 0.9 . . . . 0.0 110.722 178.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -100.15 -53.79 3.05 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 125.056 1.342 . . . . 0.0 108.073 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -64.64 -52.88 55.06 Favored 'General case' 0 C--N 1.344 0.336 0 CA-C-N 118.224 0.465 . . . . 0.0 112.227 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.1 t -83.94 -61.26 1.87 Allowed 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 -179.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.61 -178.0 16.06 Favored Glycine 0 CA--C 1.538 1.513 0 N-CA-C 110.345 -1.102 . . . . 0.0 110.345 -178.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -73.89 155.29 48.43 Favored 'Trans proline' 0 N--CA 1.455 -0.737 0 C-N-CA 122.246 1.964 . . . . 0.0 108.959 178.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.2 t -128.42 -40.74 1.59 Allowed 'General case' 0 C--O 1.235 0.301 0 C-N-CA 124.177 0.991 . . . . 0.0 109.497 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.9 m -148.58 32.03 0.8 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 127.699 2.4 . . . . 0.0 108.133 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.76 0 C-N-CA 124.668 1.128 . . . . 0.0 112.024 -177.953 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.671 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.59 169.26 19.34 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 125.502 1.521 . . . . 0.0 107.605 178.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 43.6 m -125.48 174.58 8.11 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 124.367 1.067 . . . . 0.0 110.975 -178.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.13 -164.15 36.9 Favored Glycine 0 CA--C 1.531 1.058 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 179.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 43.1 32.03 0.4 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 127.728 2.411 . . . . 0.0 115.192 178.502 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 14.1 t -58.1 -64.57 0.86 Allowed 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.261 -0.899 . . . . 0.0 111.039 -179.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.97 -77.1 0.11 Allowed Glycine 0 C--N 1.333 0.411 0 N-CA-C 109.006 -1.637 . . . . 0.0 109.006 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -52.45 134.1 34.92 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 126.79 2.036 . . . . 0.0 110.908 -179.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 6.4 p -115.83 -28.28 2.34 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 C-N-CA 125.323 1.449 . . . . 0.0 110.692 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -58.26 -52.47 65.43 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 126.056 1.742 . . . . 0.0 110.174 -178.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.21 -17.77 64.76 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 122.443 0.297 . . . . 0.0 111.382 178.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -81.74 -43.25 18.67 Favored 'General case' 0 CA--C 1.517 -0.303 0 O-C-N 120.778 -1.201 . . . . 0.0 108.123 178.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 75.7 mt -61.38 -50.32 80.9 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 N-CA-C 104.988 -2.226 . . . . 0.0 104.988 178.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.83 -34.96 65.86 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.355 0.662 . . . . 0.0 112.218 179.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 36.9 tttp -65.8 -56.42 12.02 Favored 'General case' 0 CA--C 1.519 -0.223 0 C-N-CA 123.543 0.737 . . . . 0.0 110.757 179.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -62.95 -36.39 83.3 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 118.933 0.788 . . . . 0.0 110.393 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 89.6 mtp -62.66 -24.92 67.87 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.781 0.718 . . . . 0.0 109.512 177.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.42 -24.82 75.96 Favored Glycine 0 CA--C 1.525 0.668 0 C-N-CA 124.994 1.283 . . . . 0.0 111.195 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -68.81 -55.59 10.72 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 106.15 -1.796 . . . . 0.0 106.15 178.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 158.26 -5.82 0.15 Allowed Glycine 0 CA--C 1.524 0.624 0 C-N-CA 124.245 0.926 . . . . 0.0 114.301 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -71.53 156.13 39.78 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-N 118.663 1.232 . . . . 0.0 110.834 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.49 156.72 26.42 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 123.191 0.596 . . . . 0.0 110.694 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -55.6 -43.04 75.66 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 121.691 -0.631 . . . . 0.0 110.791 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -57.93 -31.94 67.31 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.507 1.123 . . . . 0.0 112.995 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -86.13 -47.93 9.06 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 125.149 1.38 . . . . 0.0 109.108 -179.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 72.2 t -59.1 -53.78 43.33 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 C-N-CA 124.246 1.018 . . . . 0.0 111.75 -178.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 21.6 ttpt -58.91 -36.94 75.54 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -63.18 -50.73 69.16 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 179.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.67 -43.54 97.54 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 124.099 0.96 . . . . 0.0 112.698 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.84 -41.68 99.44 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-N 119.443 1.019 . . . . 0.0 109.376 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.38 -51.21 70.34 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 118.809 0.732 . . . . 0.0 110.319 179.74 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 47.4 mt -58.88 -46.36 91.23 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.65 9.06 0.71 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 126.507 1.923 . . . . 0.0 114.501 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 54.71 32.49 17.48 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 120.432 1.469 . . . . 0.0 111.203 -178.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 68.12 49.53 0.85 Allowed 'General case' 0 C--O 1.237 0.406 0 C-N-CA 128.854 2.861 . . . . 0.0 111.218 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -121.05 116.19 24.56 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 123.999 0.92 . . . . 0.0 109.643 179.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 24.2 t -58.46 -45.78 89.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 C-N-CA 125.421 1.488 . . . . 0.0 111.421 179.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -57.84 -43.77 86.08 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 124.464 1.105 . . . . 0.0 110.803 -177.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 41.4 t -78.22 -40.6 25.79 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-O 119.48 -0.295 . . . . 0.0 110.28 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.4 -34.13 64.1 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 118.618 0.644 . . . . 0.0 111.879 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 43.1 mtt180 -56.45 -44.44 80.51 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 118.357 -0.83 . . . . 0.0 110.592 178.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 4.1 m -66.29 -39.32 89.29 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.666 0.786 . . . . 0.0 110.942 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 86.6 mt -62.11 -50.4 80.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.7 mt -63.68 -27.61 69.34 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.437 0.695 . . . . 0.0 109.888 179.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.32 -17.35 64.24 Favored 'General case' 0 C--N 1.341 0.201 0 O-C-N 121.177 -0.952 . . . . 0.0 110.761 178.217 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -101.55 -45.53 5.25 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 119.174 0.897 . . . . 0.0 110.773 177.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -65.02 -29.99 70.94 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 118.708 0.686 . . . . 0.0 112.443 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 46.4 t -123.96 -55.12 1.7 Allowed 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.696 1.198 . . . . 0.0 108.071 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 64.62 -152.92 49.9 Favored Glycine 0 CA--C 1.527 0.795 0 CA-C-O 118.698 -1.057 . . . . 0.0 113.326 179.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -72.2 -175.35 1.7 Allowed 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 123.968 3.112 . . . . 0.0 111.246 -179.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 24.9 t -161.59 -98.25 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 106.538 -1.653 . . . . 0.0 106.538 179.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 75.0 m -133.01 57.34 1.81 Allowed 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.54 1.136 . . . . 0.0 108.734 178.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 N-CA-C 105.156 -3.178 . . . . 0.0 105.156 179.09 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.998 0 CA-C-O 121.683 0.602 . . . . 0.0 112.034 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.9 p -60.33 -26.1 66.31 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 116.637 2.088 . . . . 0.0 116.637 -178.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.72 171.51 15.5 Favored 'General case' 0 C--O 1.235 0.308 0 O-C-N 120.715 -1.241 . . . . 0.0 110.281 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.58 -171.22 36.09 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 124.544 1.068 . . . . 0.0 111.27 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 t -73.3 144.04 46.75 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 p -166.75 -177.7 4.0 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 125.147 1.379 . . . . 0.0 110.082 -179.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.29 172.95 48.99 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 125.012 1.291 . . . . 0.0 109.96 -179.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -77.39 162.43 27.24 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 179.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 40.2 t -54.91 -44.65 73.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 C-N-CA 123.627 0.771 . . . . 0.0 109.538 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.3 -40.48 82.13 Favored 'General case' 0 N--CA 1.462 0.147 0 C-N-CA 124.26 1.024 . . . . 0.0 110.969 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.07 -39.48 94.84 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 122.935 0.494 . . . . 0.0 110.666 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 70.9 mttt -66.99 -47.45 71.49 Favored 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 56.8 mt -56.55 -56.81 11.87 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.153 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 178.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.98 -34.48 63.38 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.257 0.623 . . . . 0.0 111.601 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -64.32 -56.81 11.89 Favored 'General case' 0 C--N 1.341 0.239 0 CA-C-N 119.375 0.989 . . . . 0.0 108.647 178.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -58.96 -40.51 84.93 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 118.888 0.767 . . . . 0.0 110.137 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 90.9 mtp -61.05 -32.38 72.0 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 119.696 1.135 . . . . 0.0 109.523 178.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.04 -13.4 72.7 Favored Glycine 0 CA--C 1.531 1.045 0 C-N-CA 124.735 1.16 . . . . 0.0 111.475 178.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -79.42 -32.32 42.83 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 119.312 1.556 . . . . 0.0 107.14 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 123.67 67.92 0.21 Allowed Glycine 0 C--N 1.337 0.627 0 C-N-CA 125.597 1.57 . . . . 0.0 111.169 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -144.63 156.2 44.0 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.7 1.2 . . . . 0.0 110.631 178.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.56 158.85 30.84 Favored 'General case' 0 C--N 1.341 0.221 0 C-N-CA 124.87 1.268 . . . . 0.0 110.129 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -59.07 -43.23 91.73 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 -178.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -68.76 -41.35 78.99 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 119.697 1.135 . . . . 0.0 112.412 -178.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -57.84 -50.53 72.98 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 123.581 0.752 . . . . 0.0 109.197 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.3 t -64.04 -45.56 96.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 O-C-N 121.783 -0.573 . . . . 0.0 110.747 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.7 ttpt -59.37 -33.39 71.12 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 118.559 0.618 . . . . 0.0 111.512 -179.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -75.83 -52.3 10.68 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 178.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.24 -46.59 72.61 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.54 1.136 . . . . 0.0 112.062 -178.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -62.08 -44.48 96.58 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.846 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -61.87 -48.8 78.91 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 119.107 0.867 . . . . 0.0 110.386 -179.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 95.7 mt -56.76 -46.23 83.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 N-CA-C 107.402 -1.332 . . . . 0.0 107.402 179.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.74 5.73 1.03 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.76 1.624 . . . . 0.0 114.546 179.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 53.84 43.9 30.29 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 120.921 1.692 . . . . 0.0 107.549 -177.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 49.08 49.46 19.48 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 129.104 2.962 . . . . 0.0 110.493 -178.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -111.04 116.86 31.88 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 106.499 -1.667 . . . . 0.0 106.499 178.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.2 t -58.04 -49.45 81.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 C-N-CA 123.656 0.783 . . . . 0.0 111.851 -179.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -60.96 -40.56 93.83 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -178.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.0 t -74.29 -40.46 50.13 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 179.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.97 -35.36 73.05 Favored 'General case' 0 CA--C 1.531 0.22 0 O-C-N 121.371 -0.831 . . . . 0.0 109.959 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 35.2 ttt-85 -64.97 -20.03 66.28 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 122.81 0.444 . . . . 0.0 111.454 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.0 m -90.76 -38.47 12.99 Favored 'General case' 0 C--O 1.226 -0.156 0 C-N-CA 124.903 1.281 . . . . 0.0 108.518 178.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 66.5 mt -58.12 -46.17 88.37 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 179.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 55.4 mt -70.02 -9.95 57.01 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 118.261 -0.876 . . . . 0.0 112.765 179.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -68.57 -41.65 79.41 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 176.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -74.91 -51.33 14.07 Favored 'General case' 0 CA--C 1.523 -0.082 0 O-C-N 123.994 0.808 . . . . 0.0 110.274 179.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -63.56 -8.26 9.27 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 -178.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.0 t -136.36 21.35 3.18 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.414 1.006 . . . . 0.0 110.956 178.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -169.16 -177.26 39.76 Favored Glycine 0 CA--C 1.525 0.682 0 O-C-N 120.392 -1.442 . . . . 0.0 114.579 -178.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -70.17 158.99 54.69 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 123.382 2.721 . . . . 0.0 112.266 -179.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.1 m -94.25 -45.43 7.51 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 125.468 1.507 . . . . 0.0 111.158 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 52.0 p -148.91 -177.88 6.05 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 125.437 1.495 . . . . 0.0 109.323 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.948 0 N-CA-C 109.334 -1.507 . . . . 0.0 109.334 179.834 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.85 0 N-CA-C 109.138 -1.585 . . . . 0.0 109.138 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 3.9 p -54.6 -28.21 44.74 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 125.104 1.362 . . . . 0.0 113.367 -179.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -155.34 167.63 29.74 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 106.524 -1.658 . . . . 0.0 106.524 179.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.66 179.42 30.27 Favored Glycine 0 CA--C 1.528 0.87 0 CA-C-O 121.877 0.709 . . . . 0.0 112.584 179.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -87.91 98.46 11.5 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 107.077 -1.453 . . . . 0.0 107.077 179.691 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 60.0 p -123.09 -177.25 3.63 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.594 1.158 . . . . 0.0 110.406 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.02 -178.01 37.2 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 124.483 1.039 . . . . 0.0 111.898 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 -85.62 156.87 20.52 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.686 1.195 . . . . 0.0 110.886 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 53.6 t -52.15 -42.43 35.78 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 C-N-CA 126.305 1.842 . . . . 0.0 110.004 179.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.16 -51.69 61.2 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 125.514 1.526 . . . . 0.0 112.026 -179.705 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.53 -25.78 68.21 Favored 'General case' 0 C--O 1.23 0.078 0 CA-C-O 119.131 -0.462 . . . . 0.0 112.108 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 45.2 mttp -72.45 -41.12 66.45 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 179.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 94.1 mt -61.08 -51.02 78.04 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 N-CA-C 105.635 -1.987 . . . . 0.0 105.635 178.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.4 -41.64 80.69 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 121.829 -0.545 . . . . 0.0 110.561 179.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 31.2 tttp -58.51 -53.34 59.44 Favored 'General case' 0 C--N 1.339 0.134 0 C-N-CA 123.68 0.792 . . . . 0.0 111.141 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -68.25 -40.5 81.95 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 117.392 -1.289 . . . . 0.0 110.723 179.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 93.2 mtp -55.41 -35.96 65.94 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 120.525 1.511 . . . . 0.0 109.201 178.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.2 -18.36 54.88 Favored Glycine 0 CA--C 1.531 1.043 0 C-N-CA 125.091 1.329 . . . . 0.0 113.561 179.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -86.08 -5.0 59.29 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.504 1.652 . . . . 0.0 109.721 178.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.37 66.05 0.98 Allowed Glycine 0 C--N 1.338 0.682 0 C-N-CA 126.004 1.764 . . . . 0.0 112.556 179.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -139.96 161.15 38.29 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 124.388 1.075 . . . . 0.0 109.964 178.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.35 156.64 31.13 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 122.841 0.456 . . . . 0.0 110.68 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -62.59 -44.58 95.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.069 -0.395 . . . . 0.0 110.357 178.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -63.29 -40.72 98.16 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 117.798 0.272 . . . . 0.0 111.026 -178.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -63.24 -53.38 53.84 Favored 'General case' 0 N--CA 1.461 0.078 0 C-N-CA 125.444 1.497 . . . . 0.0 109.083 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 75.7 t -60.32 -52.66 58.79 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 C-N-CA 124.072 0.949 . . . . 0.0 111.696 -178.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 25.5 ttpt -55.24 -39.49 69.79 Favored 'General case' 0 CA--C 1.518 -0.258 0 O-C-N 123.961 0.788 . . . . 0.0 110.18 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -70.45 -51.59 28.2 Favored 'General case' 0 N--CA 1.453 -0.289 0 O-C-N 123.504 0.503 . . . . 0.0 110.298 -179.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.89 -39.12 77.12 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 118.382 -0.818 . . . . 0.0 111.515 -179.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.18 -43.32 98.58 Favored 'General case' 0 C--N 1.343 0.304 0 CA-C-N 119.945 1.248 . . . . 0.0 108.451 178.572 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.09 -48.3 78.93 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 125.501 1.52 . . . . 0.0 109.707 -179.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 76.3 mt -64.13 -45.75 95.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.48 13.78 0.06 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.666 1.986 . . . . 0.0 115.228 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 54.18 42.6 31.46 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 120.955 1.707 . . . . 0.0 107.893 -178.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 51.88 36.19 17.55 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 128.337 2.655 . . . . 0.0 111.258 -178.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 36.3 t-20 -109.82 119.42 39.29 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 120.122 1.328 . . . . 0.0 112.238 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 40.8 t -55.63 -44.88 78.36 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 C-N-CA 124.876 1.27 . . . . 0.0 112.007 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -58.13 -33.11 68.8 Favored 'General case' 0 C--O 1.231 0.08 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 -177.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 61.9 t -92.62 -41.06 12.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 C-N-CA 123.244 0.618 . . . . 0.0 110.694 -179.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.03 -35.69 64.71 Favored 'General case' 0 C--O 1.231 0.105 0 C-N-CA 123.876 0.87 . . . . 0.0 111.684 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 50.3 ttt-85 -62.53 -43.09 99.66 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 179.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 23.1 m -69.96 -34.65 73.68 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.165 0.586 . . . . 0.0 110.36 178.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 30.5 mt -60.71 -48.61 87.97 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 178.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 36.8 mt -62.5 -20.58 64.74 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.529 0.732 . . . . 0.0 112.414 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 -68.6 -38.71 80.84 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 120.078 1.308 . . . . 0.0 111.053 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -76.01 -43.43 44.28 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 123.704 0.627 . . . . 0.0 109.771 179.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -67.59 -37.35 82.46 Favored 'General case' 0 CA--C 1.529 0.17 0 O-C-N 121.632 -0.667 . . . . 0.0 111.418 179.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.97 60.1 0.78 Allowed 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 126.353 1.861 . . . . 0.0 110.662 -177.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 165.33 -179.76 39.61 Favored Glycine 0 CA--C 1.524 0.607 0 O-C-N 121.026 -1.046 . . . . 0.0 113.137 179.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -77.5 152.58 30.03 Favored 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 122.818 2.346 . . . . 0.0 110.282 179.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.2 m -90.15 -16.75 28.92 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 124.471 1.108 . . . . 0.0 112.75 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 1.6 p -151.66 168.86 23.67 Favored 'General case' 0 C--O 1.237 0.423 0 O-C-N 121.183 -0.948 . . . . 0.0 109.259 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.226 0 N-CA-C 108.224 -1.951 . . . . 0.0 108.224 -178.623 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.0 t . . . . . 0 N--CA 1.465 0.315 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -57.74 -38.07 74.71 Favored 'General case' 0 C--O 1.233 0.191 0 O-C-N 121.45 -0.781 . . . . 0.0 112.728 -178.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.4 -38.05 89.64 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -66.98 -40.45 87.43 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.46 0.704 . . . . 0.0 109.546 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 95.5 mt -61.6 -51.08 77.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 N-CA-C 106.36 -1.719 . . . . 0.0 106.36 178.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.4 -41.1 68.87 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 122.975 0.51 . . . . 0.0 110.279 179.117 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.5 tptt -54.65 -63.25 1.21 Allowed 'General case' 0 C--O 1.234 0.246 0 C-N-CA 125.102 1.361 . . . . 0.0 110.637 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.58 -36.22 82.0 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.382 1.073 . . . . 0.0 112.268 -179.162 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 87.5 mtp -58.96 -29.96 67.56 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 119.578 1.081 . . . . 0.0 108.937 178.003 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.67 -16.36 69.81 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 124.324 0.964 . . . . 0.0 112.382 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -78.78 -7.54 57.92 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 118.458 1.129 . . . . 0.0 108.975 178.305 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.08 44.92 3.19 Favored Glycine 0 C--N 1.343 0.944 0 C-N-CA 125.353 1.454 . . . . 0.0 113.057 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -126.77 152.83 46.37 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 118.58 1.19 . . . . 0.0 109.839 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.01 147.62 48.42 Favored 'General case' 0 C--N 1.339 0.131 0 C-N-CA 123.143 0.577 . . . . 0.0 109.964 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -50.37 -44.05 54.6 Favored 'General case' 0 C--O 1.224 -0.257 0 C-N-CA 124.811 1.245 . . . . 0.0 111.999 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -57.21 -49.15 76.91 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.669 1.188 . . . . 0.0 112.408 -178.47 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -65.17 -40.14 93.88 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 125.467 1.507 . . . . 0.0 109.212 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 88.4 t -66.41 -45.63 88.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 O-C-N 121.406 -0.809 . . . . 0.0 109.587 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.8 -38.8 76.16 Favored 'General case' 0 CA--C 1.528 0.126 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 179.225 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.07 -50.98 68.44 Favored 'General case' 0 C--N 1.339 0.148 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 179.358 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.44 -45.83 84.26 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 122.991 0.516 . . . . 0.0 112.359 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -69.12 -28.44 66.47 Favored 'General case' 0 C--N 1.34 0.169 0 CA-C-O 117.512 -1.232 . . . . 0.0 111.715 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -64.99 -58.68 5.48 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 61.2 mt -55.98 -51.33 62.41 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 C-N-CA 126.297 1.839 . . . . 0.0 110.264 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.75 12.76 0.07 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.297 1.839 . . . . 0.0 115.813 -178.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 51.74 41.55 29.18 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 120.975 1.716 . . . . 0.0 109.026 -177.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.0 m120 55.37 54.95 7.94 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 127.615 2.366 . . . . 0.0 111.517 -179.245 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -126.48 118.96 26.01 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 121.041 -1.037 . . . . 0.0 109.769 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 30.9 t -61.06 -46.74 96.07 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 C-N-CA 125.367 1.467 . . . . 0.0 112.729 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -59.12 -31.71 69.18 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 125.207 1.403 . . . . 0.0 111.861 -177.188 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 98.2 t -90.88 -40.29 12.52 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 127.792 2.437 . . . . 0.0 111.121 -179.085 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.94 -32.18 72.57 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 124.345 1.058 . . . . 0.0 111.47 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 20.1 ttm180 -58.72 -36.87 74.99 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 118.978 -0.534 . . . . 0.0 109.75 179.245 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.9 m -68.29 -34.76 76.75 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.926 0.89 . . . . 0.0 111.319 179.052 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 82.1 mt -67.66 -50.76 57.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 C-N-CA 123.831 0.853 . . . . 0.0 108.705 -179.343 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.9 mt -62.54 -34.29 76.62 Favored 'General case' 0 N--CA 1.461 0.088 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -59.36 -44.72 92.67 Favored 'General case' 0 C--O 1.224 -0.254 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 178.377 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -69.16 -52.99 22.48 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.318 1.047 . . . . 0.0 111.432 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 . . . . . 0 CA--C 1.532 0.258 0 N-CA-C 116.11 1.893 . . . . 0.0 116.11 -178.366 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.414 HG22 HD22 ' B' ' 35' ' ' ASN . 20.3 t . . . . . 0 N--CA 1.464 0.267 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.55 -44.37 85.15 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 123.943 0.897 . . . . 0.0 109.777 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.5 -20.09 59.02 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.957 0.903 . . . . 0.0 112.955 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 41.0 mttp -89.87 -45.01 9.54 Favored 'General case' 0 CA--C 1.519 -0.213 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 79.4 mt -59.55 -55.89 20.8 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.14 -21.55 33.42 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.545 0.738 . . . . 0.0 112.529 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 58.2 tttt -78.82 -58.42 3.25 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 119.38 0.991 . . . . 0.0 109.659 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.04 -33.3 71.84 Favored 'General case' 0 C--N 1.339 0.15 0 CA-C-N 119.015 0.825 . . . . 0.0 111.743 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 90.9 mtp -60.29 -30.54 69.54 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 118.75 0.704 . . . . 0.0 110.335 178.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.03 -21.15 76.82 Favored Glycine 0 CA--C 1.528 0.847 0 CA-C-O 118.878 -0.957 . . . . 0.0 111.849 179.351 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -64.9 -53.65 43.22 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 105.874 -1.898 . . . . 0.0 105.874 178.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 151.16 16.12 0.07 OUTLIER Glycine 0 CA--C 1.532 1.12 0 CA-C-O 118.28 -1.289 . . . . 0.0 114.231 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -100.81 152.33 20.64 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 119.565 1.683 . . . . 0.0 111.011 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.18 160.66 32.06 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.676 0.791 . . . . 0.0 111.808 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -56.73 -45.07 82.14 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.602 0.761 . . . . 0.0 110.724 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -51.53 -53.95 32.42 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 125.622 1.569 . . . . 0.0 110.252 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -62.07 -46.98 86.72 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 126.591 1.956 . . . . 0.0 112.13 -178.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 84.2 t -64.64 -53.37 43.18 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 C-N-CA 123.249 0.619 . . . . 0.0 111.451 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 mtpt -54.89 -39.65 68.95 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 118.022 0.374 . . . . 0.0 110.309 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -64.95 -53.98 37.76 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.45 -43.55 71.73 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 122.714 0.405 . . . . 0.0 111.916 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.84 -43.12 97.12 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-O 118.183 -0.913 . . . . 0.0 111.061 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -59.45 -38.73 81.47 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 119.159 0.89 . . . . 0.0 111.585 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 81.7 mt -72.05 -42.21 67.84 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 C-N-CA 124.329 1.052 . . . . 0.0 109.019 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.17 6.85 2.49 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 128.689 2.796 . . . . 0.0 114.362 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 57.51 45.77 19.01 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 119.58 1.082 . . . . 0.0 108.256 -176.198 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' ASN . . . . . 0.414 HD22 HG22 ' B' ' 9' ' ' VAL . 4.2 m-20 48.33 62.1 2.69 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 128.872 2.869 . . . . 0.0 110.557 179.425 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 64.4 t-20 -135.06 120.26 18.89 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.167 1.387 . . . . 0.0 110.45 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 29.1 t -58.63 -44.94 90.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 C-N-CA 124.164 0.985 . . . . 0.0 111.64 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -55.2 -39.3 69.47 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.064 0.946 . . . . 0.0 112.687 -177.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 61.3 t -86.56 -38.55 12.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-O 118.861 -0.59 . . . . 0.0 109.798 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.64 -33.33 46.35 Favored 'General case' 0 C--N 1.342 0.263 0 CA-C-N 119.184 0.902 . . . . 0.0 111.707 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -58.43 -51.15 71.06 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 178.192 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 6.3 m -59.76 -30.33 68.78 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.487 1.115 . . . . 0.0 112.264 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 99.6 mt -75.54 -46.01 38.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 21.7 mt -63.34 -30.92 71.97 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 178.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -67.17 -23.07 65.73 Favored 'General case' 0 CA--C 1.529 0.137 0 O-C-N 121.111 -0.993 . . . . 0.0 109.953 177.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -91.67 -43.33 9.66 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 119.136 0.88 . . . . 0.0 110.748 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -76.61 -22.7 53.81 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 119.068 0.849 . . . . 0.0 112.637 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 7.7 t . . . . . 0 N--CA 1.45 -0.455 0 C-N-CA 125.154 1.381 . . . . 0.0 111.521 -179.593 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 38.3 t . . . . . 0 N--CA 1.465 0.324 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -52.87 -46.79 68.06 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 125.007 1.323 . . . . 0.0 110.806 -179.089 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.81 -33.1 75.19 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.021 0.928 . . . . 0.0 110.889 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 46.7 mttp -64.66 -44.69 89.58 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 119.475 1.034 . . . . 0.0 108.361 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 92.8 mt -63.06 -49.35 83.79 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.62 -34.89 67.69 Favored 'General case' 0 CA--C 1.536 0.426 0 O-C-N 121.604 -0.685 . . . . 0.0 112.251 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.6 tptm -61.35 -63.52 1.25 Allowed 'General case' 0 C--N 1.339 0.121 0 C-N-CA 124.899 1.28 . . . . 0.0 108.47 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.16 -35.75 77.96 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 118.39 -0.814 . . . . 0.0 112.358 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 84.3 mtp -58.56 -34.63 71.26 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 119.789 1.177 . . . . 0.0 110.064 178.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -66.97 -18.2 68.51 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 123.867 0.746 . . . . 0.0 112.484 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -72.1 -14.61 61.89 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.741 1.27 . . . . 0.0 109.485 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.66 39.82 1.83 Allowed Glycine 0 CA--C 1.526 0.769 0 C-N-CA 125.364 1.459 . . . . 0.0 111.47 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -128.89 149.11 50.91 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 119.027 1.413 . . . . 0.0 109.911 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.17 154.29 33.29 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 121.702 0.763 . . . . 0.0 110.409 -179.136 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -52.3 -39.02 59.97 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 126.624 1.97 . . . . 0.0 111.434 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -62.5 -46.51 88.1 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 119.201 0.909 . . . . 0.0 110.628 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -62.3 -50.59 71.06 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 124.366 1.066 . . . . 0.0 109.21 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 65.9 t -62.86 -48.33 88.56 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 C-N-CA 124.3 1.04 . . . . 0.0 111.937 -178.353 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -62.43 -38.08 88.34 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 118.047 -0.978 . . . . 0.0 109.187 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.6 tpt180 -64.71 -48.74 73.54 Favored 'General case' 0 C--N 1.341 0.196 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.18 -60.17 3.69 Favored 'General case' 0 N--CA 1.434 -1.244 0 C-N-CA 125.929 1.692 . . . . 0.0 108.873 179.158 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -56.35 -25.66 50.06 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 119.473 1.033 . . . . 0.0 112.941 -178.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -69.13 -46.98 66.3 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 81.8 mt -66.01 -48.15 82.68 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 C-N-CA 125.454 1.501 . . . . 0.0 110.061 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.69 12.47 0.07 Allowed 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 116.537 2.051 . . . . 0.0 116.537 -178.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 55.8 37.2 28.57 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 120.311 1.414 . . . . 0.0 108.735 -177.152 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 51.98 57.76 6.16 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 128.089 2.556 . . . . 0.0 113.089 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 64.1 t-20 -131.86 123.94 28.53 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 126.518 1.927 . . . . 0.0 110.767 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 33.5 t -65.44 -40.69 89.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 C-N-CA 126.231 1.812 . . . . 0.0 112.67 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -59.81 -41.65 91.72 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.328 1.051 . . . . 0.0 110.939 -178.215 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.72 HG11 HG11 ' B' ' 39' ' ' VAL . 59.8 t -78.62 -44.29 25.84 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 178.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.15 -29.11 29.56 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 -178.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -54.63 -49.49 70.39 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 119.32 0.963 . . . . 0.0 110.795 178.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.5 m -65.28 -23.82 67.14 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.997 1.319 . . . . 0.0 113.753 -179.132 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 71.7 mt -80.59 -48.33 19.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 N-CA-C 106.487 -1.672 . . . . 0.0 106.487 179.056 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.5 mt -62.76 -26.38 68.68 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 120.405 -1.435 . . . . 0.0 110.676 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 -60.87 -53.45 57.11 Favored 'General case' 0 C--O 1.226 -0.172 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 177.524 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -69.55 -39.54 77.35 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 118.432 0.56 . . . . 0.0 112.096 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 . . . . . 0 C--O 1.234 0.276 0 N-CA-C 115.216 1.562 . . . . 0.0 115.216 -178.895 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 71.3 t . . . . . 0 CA--C 1.529 0.149 0 CA-C-O 119.333 -0.365 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -55.36 -41.28 72.34 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 123.926 0.89 . . . . 0.0 110.261 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.04 -38.24 85.46 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 126.092 1.757 . . . . 0.0 110.772 178.539 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 42.3 mttp -71.48 -42.48 68.02 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 118.191 -0.909 . . . . 0.0 109.116 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 94.1 mt -57.66 -51.86 64.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 N-CA-C 106.908 -1.516 . . . . 0.0 106.908 178.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.95 -36.43 67.79 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 122.147 0.179 . . . . 0.0 110.955 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 38.5 tttt -56.17 -45.04 79.85 Favored 'General case' 0 CA--C 1.528 0.1 0 O-C-N 121.106 -0.996 . . . . 0.0 111.836 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -69.23 -31.97 70.9 Favored 'General case' 0 CA--C 1.527 0.088 0 CA-C-N 119.275 0.943 . . . . 0.0 109.832 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 94.7 mtp -63.9 -21.93 66.69 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 177.541 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.41 -23.48 73.48 Favored Glycine 0 CA--C 1.536 1.351 0 N-CA-C 108.815 -1.714 . . . . 0.0 108.815 176.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -88.94 -49.43 6.79 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 177.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 134.51 8.37 1.99 Allowed Glycine 0 C--N 1.344 0.985 0 N-CA-C 117.359 1.704 . . . . 0.0 117.359 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -72.03 170.32 14.11 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 120.602 2.201 . . . . 0.0 109.837 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.52 151.39 25.43 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 177.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -52.75 -43.8 66.02 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 124.47 1.108 . . . . 0.0 113.552 -178.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -63.29 -42.36 99.08 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 122.815 0.446 . . . . 0.0 111.353 -178.062 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -61.87 -43.5 98.71 Favored 'General case' 0 CA--C 1.529 0.138 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 88.2 t -63.26 -53.17 49.33 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 C-N-CA 123.554 0.742 . . . . 0.0 110.508 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 19.2 ttpt -54.87 -36.68 65.37 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 18.8 tpt180 -68.65 -55.24 12.14 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.87 -40.87 76.96 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 125.982 1.713 . . . . 0.0 113.804 -178.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -60.57 -39.46 88.08 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 119.674 1.125 . . . . 0.0 110.762 -179.324 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -62.96 -46.12 89.21 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 119.248 0.931 . . . . 0.0 110.483 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 59.8 mt -59.35 -48.6 86.5 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.58 12.56 0.34 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 127.533 2.333 . . . . 0.0 115.445 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 51.79 43.88 29.71 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 120.942 1.701 . . . . 0.0 110.08 -178.146 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 50.71 41.2 25.8 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 128.106 2.562 . . . . 0.0 112.034 -179.252 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -114.52 115.71 27.66 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.061 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.9 t -56.77 -41.5 75.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 C-N-CA 123.834 0.853 . . . . 0.0 110.431 179.403 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -52.9 -34.18 53.79 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 125.328 1.451 . . . . 0.0 111.348 -178.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.72 HG11 HG11 ' A' ' 39' ' ' VAL . 38.8 t -97.42 -34.8 4.98 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-N 118.244 0.475 . . . . 0.0 109.795 179.326 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.88 -37.49 71.44 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 119.228 0.922 . . . . 0.0 109.908 179.053 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -56.95 -49.95 74.12 Favored 'General case' 0 C--O 1.222 -0.36 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 178.272 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 17.6 m -60.73 -30.1 69.78 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 125.183 1.393 . . . . 0.0 113.725 -179.233 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 86.3 mt -74.48 -56.89 7.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 178.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 42.3 mt -56.36 -32.61 64.9 Favored 'General case' 0 CA--C 1.519 -0.225 0 C-N-CA 125.603 1.561 . . . . 0.0 111.992 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -48.94 -52.81 22.61 Favored 'General case' 0 CA--C 1.512 -0.49 0 C-N-CA 125.305 1.442 . . . . 0.0 111.167 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -90.63 -28.03 18.68 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 118.579 -0.724 . . . . 0.0 112.879 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -63.06 -31.55 72.72 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 119.129 0.877 . . . . 0.0 108.768 179.049 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 N--CA 1.446 -0.648 0 C-N-CA 126.451 1.9 . . . . 0.0 110.454 179.963 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.6 p . . . . . 0 CA--C 1.536 0.427 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -55.88 -51.05 68.94 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 120.394 1.452 . . . . 0.0 110.491 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.51 -31.94 69.83 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.458 0.703 . . . . 0.0 111.558 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.0 mttt -71.27 -39.39 71.58 Favored 'General case' 0 CA--C 1.519 -0.215 0 C-N-CA 123.665 0.786 . . . . 0.0 109.416 179.476 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 78.9 mt -62.04 -49.05 85.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 N-CA-C 105.624 -1.991 . . . . 0.0 105.624 178.52 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.28 -25.58 67.19 Favored 'General case' 0 CA--C 1.536 0.417 0 O-C-N 121.856 -0.528 . . . . 0.0 111.868 179.043 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.8 tttt -69.56 -63.79 1.0 Allowed 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -59.57 -34.99 73.4 Favored 'General case' 0 C--O 1.225 -0.186 0 C-N-CA 123.672 0.789 . . . . 0.0 111.562 -179.443 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 49.2 mmm -57.06 -26.48 60.44 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 119.15 0.886 . . . . 0.0 111.085 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.2 -18.21 74.7 Favored Glycine 0 CA--C 1.527 0.843 0 O-C-N 121.017 -1.052 . . . . 0.0 112.771 178.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -80.22 -6.38 57.74 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.194 1.398 . . . . 0.0 111.378 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.94 -0.51 55.08 Favored Glycine 0 C--N 1.34 0.77 0 C-N-CA 124.49 1.043 . . . . 0.0 114.404 179.127 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -74.8 161.99 29.08 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 118.627 1.213 . . . . 0.0 110.89 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.21 152.37 26.45 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 124.001 0.92 . . . . 0.0 110.274 179.147 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -55.04 -42.53 72.79 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 123.518 0.727 . . . . 0.0 110.456 179.231 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -57.93 -53.56 56.81 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 124.346 1.058 . . . . 0.0 110.585 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -59.68 -47.08 87.05 Favored 'General case' 0 CA--C 1.516 -0.342 0 C-N-CA 125.318 1.447 . . . . 0.0 110.822 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 64.3 t -58.87 -56.61 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 C-N-CA 124.751 1.22 . . . . 0.0 109.18 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.8 mtpt -56.62 -40.66 75.73 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-O 119.111 -0.471 . . . . 0.0 110.579 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.2 tpt180 -64.08 -46.26 85.08 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 -178.331 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.14 -43.92 97.78 Favored 'General case' 0 N--CA 1.445 -0.675 0 C-N-CA 123.081 0.552 . . . . 0.0 110.76 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.3 -43.49 98.79 Favored 'General case' 0 C--N 1.342 0.246 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 179.186 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -57.82 -45.34 86.29 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.283 1.433 . . . . 0.0 110.903 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.2 mt -68.69 -44.47 82.38 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.414 ' HA ' HG13 ' B' ' 39' ' ' VAL . . . -71.62 0.7 8.03 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 128.807 2.843 . . . . 0.0 115.375 -179.544 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 59.96 53.85 4.49 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.666 1.186 . . . . 0.0 108.685 -176.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 49.57 50.51 18.1 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 128.079 2.552 . . . . 0.0 110.778 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -124.17 120.98 33.87 Favored 'General case' 0 C--N 1.333 -0.14 0 O-C-N 121.475 -0.766 . . . . 0.0 111.368 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 38.6 t -63.36 -53.18 48.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 C-N-CA 125.941 1.696 . . . . 0.0 110.834 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -49.8 -48.2 50.83 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.701 1.2 . . . . 0.0 110.595 -178.179 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 69.1 t -73.92 -43.6 52.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 123.05 0.54 . . . . 0.0 110.543 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.22 -34.63 66.5 Favored 'General case' 0 C--N 1.341 0.214 0 CA-C-N 119.332 0.969 . . . . 0.0 110.995 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 35.0 mtp180 -60.89 -25.46 66.73 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 117.468 -1.254 . . . . 0.0 110.296 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.3 m -79.02 -55.43 5.13 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-N 120.038 1.29 . . . . 0.0 108.037 178.215 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 78.9 mt -49.84 -46.36 22.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 C-N-CA 125.534 1.534 . . . . 0.0 111.518 -178.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.2 mt -62.87 -22.58 66.8 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 118.265 -0.874 . . . . 0.0 112.142 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.8 mmt85 -70.56 -44.35 67.59 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 120.31 1.414 . . . . 0.0 107.381 178.113 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -57.84 -57.57 12.17 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 . . . . . 0 N--CA 1.466 0.365 0 CA-C-N 118.813 0.733 . . . . 0.0 112.652 -179.391 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 6.9 p . . . . . 0 CA--C 1.537 0.471 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -48.05 -57.19 6.13 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 126.861 2.064 . . . . 0.0 112.106 -179.015 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.42 -24.88 67.65 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 21.9 mttp -72.09 -41.45 67.3 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 97.1 mt -61.34 -50.92 78.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.29 -36.89 66.65 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 118.014 0.37 . . . . 0.0 111.873 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 72.2 tttt -63.95 -62.46 1.62 Allowed 'General case' 0 C--N 1.34 0.167 0 C-N-CA 124.377 1.071 . . . . 0.0 109.846 179.363 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -59.2 -35.95 74.5 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-O 118.996 -0.526 . . . . 0.0 111.951 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 41.6 mmm -55.89 -36.04 67.2 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 119.355 0.98 . . . . 0.0 109.345 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.87 -8.91 55.05 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 124.929 1.252 . . . . 0.0 113.496 179.287 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -91.29 1.8 56.84 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.606 1.203 . . . . 0.0 110.7 178.635 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.06 48.48 3.09 Favored Glycine 0 C--N 1.338 0.659 0 C-N-CA 124.097 0.856 . . . . 0.0 114.382 178.344 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -132.55 159.0 40.71 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 123.314 0.645 . . . . 0.0 109.781 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.26 155.35 20.11 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 123.923 0.889 . . . . 0.0 110.877 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -55.75 -42.23 75.1 Favored 'General case' 0 N--CA 1.465 0.295 0 O-C-N 121.699 -0.626 . . . . 0.0 111.622 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -65.45 -27.7 68.7 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -82.61 -46.3 13.47 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 91.7 t -60.63 -55.6 23.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 125.009 1.324 . . . . 0.0 110.751 -179.359 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -58.86 -35.09 72.38 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-O 118.889 -0.577 . . . . 0.0 110.804 -179.267 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -65.68 -51.83 56.29 Favored 'General case' 0 N--CA 1.457 -0.117 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.31 -44.17 95.68 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.399 0.68 . . . . 0.0 111.601 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -58.87 -47.96 83.05 Favored 'General case' 0 C--N 1.34 0.156 0 CA-C-O 118.342 -0.837 . . . . 0.0 109.631 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -53.91 -50.32 66.66 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.415 1.086 . . . . 0.0 110.544 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 74.9 mt -59.07 -48.33 87.09 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 C-N-CA 124.194 0.997 . . . . 0.0 108.974 -179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.83 12.93 0.32 Allowed 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.157 1.783 . . . . 0.0 114.274 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 53.4 43.67 31.04 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 121.037 1.744 . . . . 0.0 109.172 -178.057 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 53.26 39.64 30.05 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 128.164 2.585 . . . . 0.0 112.235 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -104.53 122.86 46.45 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 178.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 29.6 t -59.2 -58.92 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.146 0 C-N-CA 124.71 1.204 . . . . 0.0 112.277 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -52.95 -42.9 65.91 Favored 'General case' 0 CA--C 1.522 -0.11 0 C-N-CA 124.272 1.029 . . . . 0.0 111.961 -176.468 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.414 HG13 ' HA ' ' A' ' 33' ' ' ALA . 62.9 t -72.84 -41.02 61.19 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 C-N-CA 125.281 1.433 . . . . 0.0 109.528 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.37 -30.6 71.31 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 119.172 0.896 . . . . 0.0 111.432 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 10.2 mtp180 -55.14 -48.66 73.37 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 118.591 0.632 . . . . 0.0 109.699 178.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 6.8 m -56.97 -42.47 80.24 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.043 1.337 . . . . 0.0 112.085 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 98.1 mt -60.89 -52.68 58.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 13.5 mt -61.78 -33.43 74.08 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-O 118.439 -0.791 . . . . 0.0 110.153 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.0 -47.78 83.27 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 119.557 1.072 . . . . 0.0 109.773 179.059 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.98 -47.07 69.57 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.006 0.922 . . . . 0.0 111.173 -179.376 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -69.29 -53.06 21.68 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 119.082 0.856 . . . . 0.0 110.995 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 CA--C 1.533 0.327 0 C-N-CA 126.049 1.74 . . . . 0.0 108.47 179.879 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.0 t . . . . . 0 CA--C 1.53 0.194 0 CA-C-O 118.968 -0.539 . . . . 0.0 110.814 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -57.14 -41.11 78.51 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 119.613 1.097 . . . . 0.0 112.131 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.3 -34.76 77.21 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 122.895 0.478 . . . . 0.0 110.46 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -72.42 -40.1 67.37 Favored 'General case' 0 CA--C 1.516 -0.337 0 O-C-N 121.615 -0.678 . . . . 0.0 109.479 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 79.1 mt -60.48 -50.02 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 106.53 -1.655 . . . . 0.0 106.53 178.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.97 -40.27 69.84 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 122.691 0.396 . . . . 0.0 109.979 179.024 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.8 tptt -57.79 -60.98 2.87 Favored 'General case' 0 C--N 1.341 0.219 0 C-N-CA 124.57 1.148 . . . . 0.0 110.951 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.459 HD12 HD12 ' A' ' 44' ' ' LEU . 4.4 mm? -63.28 -34.46 77.72 Favored 'General case' 0 C--O 1.226 -0.141 0 CA-C-N 118.377 0.535 . . . . 0.0 111.249 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 91.0 mtp -61.02 -32.58 72.18 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 107.629 -1.248 . . . . 0.0 107.629 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.08 -10.26 64.97 Favored Glycine 0 CA--C 1.532 1.098 0 C-N-CA 125.607 1.575 . . . . 0.0 112.405 178.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -86.61 -11.43 51.45 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 118.796 1.298 . . . . 0.0 109.231 178.242 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.3 23.15 8.63 Favored Glycine 0 C--N 1.34 0.763 0 CA-C-O 118.274 -1.292 . . . . 0.0 113.763 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -106.23 154.36 20.83 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 119.363 1.582 . . . . 0.0 111.77 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.07 145.08 38.11 Favored 'General case' 0 C--N 1.343 0.301 0 C-N-CA 123.623 0.769 . . . . 0.0 111.431 -178.254 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -53.17 -40.02 64.02 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -178.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -64.99 -17.08 64.12 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -97.05 -34.4 11.18 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 124.744 1.218 . . . . 0.0 108.24 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 68.0 t -67.54 -56.58 12.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 C-N-CA 124.285 1.034 . . . . 0.0 112.336 -178.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.1 ttpt -56.1 -34.46 66.05 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 118.531 0.605 . . . . 0.0 109.684 -179.34 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -67.23 -47.95 69.26 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 124.859 1.264 . . . . 0.0 109.1 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.17 -44.72 94.8 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 118.307 0.503 . . . . 0.0 110.517 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.47 -22.61 64.56 Favored 'General case' 0 C--N 1.341 0.2 0 CA-C-O 118.169 -0.919 . . . . 0.0 111.51 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -71.75 -55.88 6.81 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 107.035 -1.469 . . . . 0.0 107.035 177.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.5 mt -58.18 -51.01 76.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 C-N-CA 124.784 1.233 . . . . 0.0 109.613 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.54 7.67 0.44 Allowed 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 126.433 1.893 . . . . 0.0 114.531 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 50.24 49.79 19.88 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 122.603 1.192 . . . . 0.0 110.352 -179.294 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.3 m120 56.81 31.84 20.25 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 128.732 2.813 . . . . 0.0 113.782 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -109.25 118.75 37.53 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 120.669 1.577 . . . . 0.0 110.515 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.4 t -62.76 -41.73 93.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 123.903 0.881 . . . . 0.0 112.126 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -62.17 -30.26 70.93 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -177.164 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.68 HG11 HG11 ' B' ' 39' ' ' VAL . 60.8 t -86.78 -47.7 15.97 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 C-N-CA 124.448 1.099 . . . . 0.0 109.1 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.61 -32.41 58.78 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.61 1.164 . . . . 0.0 111.479 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 31.9 mtt-85 -54.94 -43.98 73.89 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.186 0.994 . . . . 0.0 110.51 178.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.8 m -71.19 -37.96 72.12 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 118.075 -0.964 . . . . 0.0 111.758 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.7 mt -56.96 -44.31 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-O 122.371 1.081 . . . . 0.0 109.137 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.459 HD12 HD12 ' A' ' 16' ' ' LEU . 79.4 mt -69.97 -22.67 63.13 Favored 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 120.998 -1.064 . . . . 0.0 112.903 -178.68 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 35.9 mtp-105 -72.25 -35.81 68.9 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 119.57 1.077 . . . . 0.0 108.729 178.265 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -77.89 -33.48 51.97 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-O 118.956 -0.545 . . . . 0.0 111.426 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 . . . . . 0 N--CA 1.464 0.264 0 CA-C-N 119.383 0.992 . . . . 0.0 113.1 179.579 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 17.9 t . . . . . 0 N--CA 1.471 0.605 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -59.58 -44.83 93.2 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 121.105 -0.997 . . . . 0.0 110.776 -179.113 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.62 -19.81 58.96 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.369 0.667 . . . . 0.0 111.921 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -91.13 -39.96 11.86 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.391 1.077 . . . . 0.0 109.128 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 73.6 mt -59.81 -52.13 64.73 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 N-CA-C 105.192 -2.151 . . . . 0.0 105.192 178.039 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.41 -15.27 57.1 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.627 0.771 . . . . 0.0 112.868 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 34.3 tptt -78.96 -62.03 1.83 Allowed 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 178.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.412 HD12 HD12 ' B' ' 44' ' ' LEU . 4.1 mm? -60.22 -36.71 78.31 Favored 'General case' 0 C--O 1.226 -0.135 0 C-N-CA 124.698 1.199 . . . . 0.0 111.831 -178.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 89.4 mtp -59.89 -23.52 63.53 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 119.421 1.01 . . . . 0.0 112.771 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -77.5 -19.54 76.09 Favored Glycine 0 CA--C 1.526 0.773 0 CA-C-O 119.236 -0.758 . . . . 0.0 111.464 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -73.66 -4.43 34.24 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 118.592 1.196 . . . . 0.0 111.526 179.065 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.49 -17.14 21.36 Favored Glycine 0 CA--C 1.523 0.564 0 C-N-CA 127.309 2.385 . . . . 0.0 115.824 177.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -68.06 146.89 53.07 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 -177.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.65 155.92 37.26 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 125.733 1.613 . . . . 0.0 111.88 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -57.0 -41.88 79.28 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 123.843 0.857 . . . . 0.0 111.329 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -63.76 -23.72 67.48 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.275 0.63 . . . . 0.0 111.781 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -91.85 -41.79 10.43 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.146 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 85.7 t -64.99 -54.94 23.57 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.23 0 O-C-N 120.986 -1.071 . . . . 0.0 113.287 -178.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt -56.13 -34.2 65.89 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 119.98 -0.688 . . . . 0.0 110.275 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -64.9 -55.39 19.6 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 107.278 -1.378 . . . . 0.0 107.278 178.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.12 -47.93 68.25 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.355 1.062 . . . . 0.0 111.446 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.47 -36.61 84.33 Favored 'General case' 0 C--O 1.225 -0.229 0 CA-C-O 117.994 -1.003 . . . . 0.0 111.312 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -62.7 -47.95 81.4 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 120.031 1.287 . . . . 0.0 110.094 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 18.7 mt -63.86 -44.19 98.03 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 124.592 1.157 . . . . 0.0 109.907 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.408 ' HA ' HG13 ' A' ' 39' ' ' VAL . . . -72.62 10.26 0.89 Allowed 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.22 1.808 . . . . 0.0 114.285 -179.386 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 52.77 42.5 31.82 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 120.923 1.692 . . . . 0.0 108.888 -177.09 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 28.1 m120 59.95 17.83 6.98 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 129.377 3.071 . . . . 0.0 112.066 -178.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 42.7 t-20 -89.46 118.76 29.34 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 121.915 2.143 . . . . 0.0 112.133 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 25.4 t -58.77 -44.02 89.27 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 C-N-CA 125.185 1.394 . . . . 0.0 110.632 179.2 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -53.28 -43.4 67.45 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 124.479 1.112 . . . . 0.0 110.797 -178.344 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.68 HG11 HG11 ' A' ' 39' ' ' VAL . 39.2 t -83.37 -38.52 14.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-O 118.843 -0.599 . . . . 0.0 110.835 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.4 ' HA ' HD12 ' B' ' 43' ' ' ILE . . . -54.2 -29.23 45.29 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 119.316 0.962 . . . . 0.0 111.483 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 32.7 mtt180 -60.13 -47.29 86.53 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-O 118.788 -0.625 . . . . 0.0 109.665 178.066 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 4.9 m -59.45 -32.85 70.6 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.648 1.179 . . . . 0.0 112.286 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.4 HD12 ' HA ' ' B' ' 40' ' ' ALA . 60.7 mt -73.36 -51.44 25.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 125.72 1.608 . . . . 0.0 109.23 -179.127 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.412 HD12 HD12 ' B' ' 16' ' ' LEU . 20.1 mt -63.83 -29.0 70.24 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 120.705 -1.247 . . . . 0.0 109.941 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.68 -23.92 67.41 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 117.557 -1.211 . . . . 0.0 110.224 177.727 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -94.96 -47.93 6.21 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 119.981 1.264 . . . . 0.0 110.829 178.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -63.09 -50.61 69.89 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 -178.298 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 C--O 1.233 0.219 0 C-N-CA 123.315 0.646 . . . . 0.0 111.889 -178.471 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.7 p . . . . . 0 N--CA 1.467 0.397 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -56.03 -37.77 69.66 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 121.381 -0.824 . . . . 0.0 111.9 -178.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.22 -45.82 89.89 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.3 mttp -62.06 -40.87 97.25 Favored 'General case' 0 C--O 1.225 -0.205 0 C-N-CA 124.231 1.012 . . . . 0.0 110.457 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 89.0 mt -59.33 -55.77 21.52 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.26 -38.62 66.01 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 122.343 -0.223 . . . . 0.0 111.581 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.5 tttm -55.38 -63.35 1.19 Allowed 'General case' 0 C--N 1.343 0.321 0 C-N-CA 124.656 1.183 . . . . 0.0 110.579 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.39 -34.28 76.41 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 118.024 -0.989 . . . . 0.0 112.887 -179.074 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 98.2 mtp -57.63 -25.66 60.44 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 119.66 1.118 . . . . 0.0 110.052 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.07 -15.66 72.18 Favored Glycine 0 CA--C 1.53 1.029 0 C-N-CA 125.099 1.333 . . . . 0.0 113.139 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -85.45 -10.03 56.7 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.359 1.579 . . . . 0.0 111.624 178.697 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.69 55.26 0.79 Allowed Glycine 0 C--N 1.337 0.587 0 C-N-CA 123.711 0.672 . . . . 0.0 111.796 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -139.97 147.03 39.89 Favored 'General case' 0 C--O 1.242 0.682 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 178.159 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.15 161.1 27.61 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 124.035 0.934 . . . . 0.0 111.365 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -52.03 -47.94 64.77 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 125.111 1.365 . . . . 0.0 112.872 -179.135 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -61.13 -47.1 87.8 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -178.307 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -57.59 -49.38 76.61 Favored 'General case' 0 CA--C 1.52 -0.201 0 C-N-CA 125.376 1.47 . . . . 0.0 110.059 -178.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.1 t -63.48 -46.92 93.87 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 C-N-CA 123.642 0.777 . . . . 0.0 110.105 -179.219 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.6 mtpt -56.9 -41.52 78.23 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 178.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -64.16 -47.89 78.09 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.08 -46.64 88.89 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 118.588 -0.72 . . . . 0.0 111.261 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -63.02 -33.0 74.49 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 120.418 1.463 . . . . 0.0 110.319 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -64.92 -49.09 71.78 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 119.814 1.188 . . . . 0.0 108.823 178.628 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.4 mt -69.86 -32.89 53.48 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 C-N-CA 125.105 1.362 . . . . 0.0 111.545 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.25 13.75 4.03 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 127.592 2.357 . . . . 0.0 114.844 -178.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.461 ' HG3' HG22 ' B' ' 39' ' ' VAL . 6.5 mm100 54.69 38.74 30.57 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 120.75 1.614 . . . . 0.0 110.118 -178.178 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.2 t30 56.35 39.42 30.11 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.39 1.876 . . . . 0.0 111.783 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -117.64 120.66 38.7 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 125.04 1.336 . . . . 0.0 111.938 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.5 t -61.42 -43.81 97.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 C-N-CA 124.259 1.024 . . . . 0.0 111.204 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -56.71 -28.39 60.87 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 124.57 1.148 . . . . 0.0 112.547 -177.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.754 HG11 HG11 ' B' ' 39' ' ' VAL . 45.8 t -98.63 -42.75 11.34 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.402 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.409 ' HA ' HD12 ' A' ' 43' ' ' ILE . . . -52.8 -34.88 55.65 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 118.978 0.808 . . . . 0.0 110.749 179.608 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -55.17 -53.2 58.93 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 125.706 1.602 . . . . 0.0 109.221 178.354 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.4 m -68.48 -25.88 65.2 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.126 0.97 . . . . 0.0 113.159 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.409 HD12 ' HA ' ' A' ' 40' ' ' ALA . 91.0 mt -67.4 -58.5 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 N-CA-C 106.589 -1.634 . . . . 0.0 106.589 178.668 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.3 mt -55.58 -36.03 66.43 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 125.31 1.444 . . . . 0.0 110.167 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.43 -38.58 74.61 Favored 'General case' 0 CA--C 1.527 0.095 0 CA-C-O 119.127 -0.463 . . . . 0.0 111.334 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -100.23 -21.79 15.37 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 118.405 -0.807 . . . . 0.0 112.787 -179.279 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.469 0.475 0 CA-C-N 120.093 1.315 . . . . 0.0 107.642 178.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 CA--C 1.535 0.396 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -54.12 -37.43 64.33 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 120.779 -1.201 . . . . 0.0 113.713 -178.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.0 -25.58 66.99 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.483 0.713 . . . . 0.0 112.198 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 20.0 mttp -83.59 -39.71 19.99 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 178.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 91.3 mt -58.31 -53.69 42.84 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 N-CA-C 106.917 -1.512 . . . . 0.0 106.917 178.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.58 -33.12 63.63 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 123.147 0.579 . . . . 0.0 112.32 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -64.55 -64.62 0.83 Allowed 'General case' 0 C--N 1.341 0.211 0 C-N-CA 124.537 1.135 . . . . 0.0 108.834 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.37 -37.39 75.14 Favored 'General case' 0 C--N 1.341 0.228 0 CA-C-N 118.634 0.652 . . . . 0.0 111.296 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 80.4 mtp -59.91 -25.74 65.37 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 119.197 0.908 . . . . 0.0 110.004 178.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -82.05 -7.68 87.53 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 124.606 1.098 . . . . 0.0 112.542 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -92.25 -3.53 55.37 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.416 -1.049 . . . . 0.0 110.965 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.78 62.53 1.07 Allowed Glycine 0 C--N 1.341 0.844 0 C-N-CA 124.652 1.12 . . . . 0.0 113.747 178.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -146.76 148.06 31.56 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 125.334 1.454 . . . . 0.0 108.307 178.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.5 156.08 39.4 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-O 120.976 0.417 . . . . 0.0 111.432 -178.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -55.77 -42.04 74.92 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -178.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -68.83 -34.34 75.33 Favored 'General case' 0 CA--C 1.528 0.121 0 CA-C-N 118.808 0.731 . . . . 0.0 111.251 -178.421 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -67.11 -44.6 79.52 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 123.809 0.844 . . . . 0.0 109.037 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 84.3 t -62.24 -53.85 42.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 124.157 0.983 . . . . 0.0 111.141 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -56.15 -38.42 70.83 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 118.136 0.425 . . . . 0.0 110.655 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -64.18 -53.61 46.66 Favored 'General case' 0 CA--C 1.52 -0.179 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.3 -45.58 84.03 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 123.711 0.804 . . . . 0.0 112.129 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.15 -39.34 89.75 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-O 117.213 -1.375 . . . . 0.0 110.4 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -57.65 -51.58 68.92 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 119.78 1.173 . . . . 0.0 109.333 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 66.5 mt -61.8 -47.46 93.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 C-N-CA 125.117 1.367 . . . . 0.0 109.467 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.79 9.76 0.25 Allowed 'General case' 0 C--O 1.234 0.285 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 -179.053 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' GLN . . . . . 0.447 ' HG3' HG22 ' A' ' 39' ' ' VAL . 3.6 mm100 55.65 42.44 29.44 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 120.297 1.408 . . . . 0.0 108.215 -178.273 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 58.6 t30 44.71 55.03 6.21 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 128.76 2.824 . . . . 0.0 111.87 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 -128.15 117.73 22.11 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.872 1.669 . . . . 0.0 108.518 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 84.0 t -63.58 -36.04 74.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 O-C-N 121.189 -0.945 . . . . 0.0 110.578 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -56.27 -31.18 63.37 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 124.574 1.15 . . . . 0.0 111.629 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.754 HG11 HG11 ' A' ' 39' ' ' VAL . 49.2 t -99.11 -41.62 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.692 0 C-N-CA 124.018 0.927 . . . . 0.0 110.559 -178.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.65 -33.25 68.11 Favored 'General case' 0 N--CA 1.463 0.214 0 O-C-N 121.247 -0.908 . . . . 0.0 111.7 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 15.5 ttm180 -58.77 -42.16 88.28 Favored 'General case' 0 C--N 1.341 0.231 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 46.9 m -71.22 -33.31 69.76 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.639 -0.663 . . . . 0.0 111.091 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 55.9 mt -63.81 -57.84 9.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 29.5 mt -57.82 -34.48 69.71 Favored 'General case' 0 C--O 1.231 0.1 0 C-N-CA 123.301 0.641 . . . . 0.0 111.203 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -58.45 -48.17 81.59 Favored 'General case' 0 C--O 1.226 -0.169 0 C-N-CA 122.957 0.503 . . . . 0.0 109.875 179.052 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -80.24 -30.59 38.53 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -179.388 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -69.57 -53.03 20.88 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-N 119.064 0.847 . . . . 0.0 111.407 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 N--CA 1.455 -0.188 0 CA-C-O 118.378 -0.82 . . . . 0.0 112.742 -178.381 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.7 t . . . . . 0 CA--C 1.532 0.258 0 N-CA-C 111.34 0.126 . . . . 0.0 111.34 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -56.46 -35.32 67.79 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 124.42 1.088 . . . . 0.0 113.928 -177.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.15 -25.34 67.7 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 122.343 0.257 . . . . 0.0 110.464 178.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 42.1 mttp -77.64 -44.84 26.87 Favored 'General case' 0 CA--C 1.518 -0.261 0 C-N-CA 124.094 0.957 . . . . 0.0 108.631 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 94.7 mt -54.45 -59.07 2.44 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.33 -38.88 66.51 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 112.4 0.518 . . . . 0.0 112.4 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.6 tttt -57.14 -53.75 54.56 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 121.51 -0.744 . . . . 0.0 110.725 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -71.07 -34.67 71.41 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 118.463 -0.779 . . . . 0.0 111.028 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 92.2 mtp -59.9 -33.92 72.49 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 120.017 1.281 . . . . 0.0 109.404 178.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.07 -25.93 60.41 Favored Glycine 0 CA--C 1.53 1.009 0 CA-C-O 119.395 -0.669 . . . . 0.0 111.72 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -63.79 -25.41 68.17 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 119.243 1.521 . . . . 0.0 110.955 178.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 122.69 -5.29 9.89 Favored Glycine 0 CA--C 1.529 0.963 0 C-N-CA 125.654 1.597 . . . . 0.0 111.434 -178.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -73.36 155.8 39.01 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 118.914 1.357 . . . . 0.0 110.789 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.91 162.82 16.69 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.974 0.909 . . . . 0.0 111.775 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -57.95 -41.97 83.93 Favored 'General case' 0 C--O 1.238 0.461 0 O-C-N 121.217 -0.927 . . . . 0.0 112.307 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -60.87 -21.49 63.34 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.692 0.797 . . . . 0.0 112.26 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -91.41 -50.84 5.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 122.422 1.106 . . . . 0.0 110.077 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 94.3 t -62.43 -56.63 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 C-N-CA 125.175 1.39 . . . . 0.0 114.119 -177.161 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -56.5 -32.62 65.2 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 118.531 0.605 . . . . 0.0 111.264 -178.583 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 27.8 tpt180 -72.28 -54.72 8.71 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.86 -41.54 70.92 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.394 0.678 . . . . 0.0 111.611 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -63.06 -37.98 89.37 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-O 116.859 -1.543 . . . . 0.0 109.636 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -66.05 -49.38 67.86 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 120.791 1.632 . . . . 0.0 110.48 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 68.0 mt -56.63 -40.15 67.44 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.77 7.46 4.68 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.932 1.693 . . . . 0.0 113.344 179.158 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 54.4 46.44 25.04 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 120.847 1.658 . . . . 0.0 108.774 -177.12 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 31.4 m120 53.91 35.38 21.67 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 128.738 2.815 . . . . 0.0 111.366 -178.681 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -102.38 117.01 33.81 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 178.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.2 t -60.46 -48.23 89.28 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-O 118.876 -0.583 . . . . 0.0 112.461 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -55.54 -52.6 63.18 Favored 'General case' 0 C--N 1.332 -0.162 0 O-C-N 123.557 0.536 . . . . 0.0 110.073 -177.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.716 HG11 HG11 ' B' ' 39' ' ' VAL . 59.7 t -64.63 -39.62 86.25 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 CA-C-O 119.048 -0.501 . . . . 0.0 110.222 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.86 -31.82 65.19 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 119.001 0.819 . . . . 0.0 110.617 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -56.97 -51.86 67.52 Favored 'General case' 0 C--N 1.345 0.376 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 178.302 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.6 m -60.84 -33.65 73.37 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.942 1.297 . . . . 0.0 112.597 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 60.1 mt -70.87 -49.35 50.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 C-N-CA 125.01 1.324 . . . . 0.0 109.112 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 18.0 mt -63.12 -31.98 73.26 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.481 0.712 . . . . 0.0 109.109 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 -65.98 -19.1 65.75 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-O 117.957 -1.021 . . . . 0.0 111.078 178.292 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -98.04 -41.89 7.75 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 119.802 1.183 . . . . 0.0 110.21 178.514 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 . . . . . 0 C--N 1.34 0.167 0 O-C-N 123.7 0.625 . . . . 0.0 110.835 179.672 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 81.8 t . . . . . 0 N--CA 1.467 0.403 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -50.2 -46.33 54.39 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 126.205 1.802 . . . . 0.0 112.012 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.1 -19.96 55.92 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.108 0.963 . . . . 0.0 112.181 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 45.3 mttp -90.35 -41.67 11.37 Favored 'General case' 0 CA--C 1.52 -0.191 0 C-N-CA 125.108 1.363 . . . . 0.0 108.609 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 14.0 mt -54.66 -59.02 2.57 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 178.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.0 -38.81 76.82 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 122.13 -0.356 . . . . 0.0 111.475 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -59.25 -55.13 38.79 Favored 'General case' 0 C--N 1.339 0.129 0 O-C-N 121.409 -0.807 . . . . 0.0 110.022 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -65.03 -38.13 89.88 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 117.955 -1.022 . . . . 0.0 111.5 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 84.0 mtp -56.07 -40.66 73.93 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 119.668 1.122 . . . . 0.0 108.708 178.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.22 -16.01 59.55 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 124.571 1.081 . . . . 0.0 113.742 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -77.59 -15.23 59.36 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.474 1.637 . . . . 0.0 108.543 178.008 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.55 54.05 0.7 Allowed Glycine 0 C--N 1.34 0.76 0 C-N-CA 125.523 1.535 . . . . 0.0 112.713 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -136.87 160.52 38.63 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 125.383 1.473 . . . . 0.0 109.344 178.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.04 149.66 23.86 Favored 'General case' 0 C--N 1.343 0.32 0 CA-C-N 119.105 0.866 . . . . 0.0 109.625 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -52.85 -44.13 66.54 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 125.127 1.371 . . . . 0.0 114.434 -178.439 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -64.15 -26.27 68.45 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -177.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -84.36 -45.8 12.4 Favored 'General case' 0 C--O 1.226 -0.16 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 53.1 t -58.77 -47.71 88.32 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 C-N-CA 124.51 1.124 . . . . 0.0 110.308 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 8.5 ttpt -56.88 -39.14 73.81 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 119.212 -0.423 . . . . 0.0 109.882 179.218 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 -67.77 -49.7 61.03 Favored 'General case' 0 C--N 1.341 0.197 0 C-N-CA 123.844 0.857 . . . . 0.0 108.81 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.35 -44.4 72.14 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.594 1.157 . . . . 0.0 112.396 -178.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -70.66 -26.64 63.54 Favored 'General case' 0 N--CA 1.456 -0.128 0 CA-C-O 117.995 -1.002 . . . . 0.0 112.586 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -68.7 -51.35 42.56 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 106.143 -1.799 . . . . 0.0 106.143 178.199 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 68.5 mt -58.54 -49.32 82.77 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 C-N-CA 125.015 1.326 . . . . 0.0 108.768 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.2 3.59 1.16 Allowed 'General case' 0 C--O 1.235 0.298 0 C-N-CA 125.438 1.495 . . . . 0.0 114.233 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 51.89 44.99 28.98 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 122.93 1.347 . . . . 0.0 108.56 -178.031 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 8.8 m120 59.2 21.29 9.39 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 130.584 3.554 . . . . 0.0 113.436 -179.416 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -91.73 111.43 22.95 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 121.521 1.964 . . . . 0.0 110.431 179.026 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 22.0 t -53.85 -46.27 63.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 C-N-CA 124.372 1.069 . . . . 0.0 111.332 179.43 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -54.83 -36.29 64.85 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.878 0.871 . . . . 0.0 112.401 -177.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.716 HG11 HG11 ' A' ' 39' ' ' VAL . 41.5 t -84.37 -41.27 16.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 C-N-CA 123.406 0.682 . . . . 0.0 109.946 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.3 -33.32 63.17 Favored 'General case' 0 CA--C 1.531 0.233 0 O-C-N 121.734 -0.603 . . . . 0.0 112.41 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 35.9 mtp-105 -60.3 -44.99 94.91 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 118.654 -0.689 . . . . 0.0 109.624 179.02 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 51.3 m -70.5 -31.68 68.88 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 118.546 0.612 . . . . 0.0 110.539 179.253 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 62.1 mt -62.88 -54.93 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-N 119.571 1.078 . . . . 0.0 108.622 178.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 18.6 mt -60.77 -28.33 68.65 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 124.297 1.039 . . . . 0.0 110.767 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -67.5 -18.19 64.96 Favored 'General case' 0 N--CA 1.464 0.25 0 O-C-N 121.67 -0.644 . . . . 0.0 112.105 179.117 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -97.98 -37.67 9.69 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 178.579 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -67.39 -52.21 42.71 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.591 0.632 . . . . 0.0 109.742 178.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 41.9 t . . . . . 0 N--CA 1.452 -0.333 0 C-N-CA 124.842 1.257 . . . . 0.0 110.009 -179.388 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.6 p . . . . . 0 N--CA 1.47 0.564 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -62.86 -34.7 77.9 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 120.157 -1.59 . . . . 0.0 111.188 -179.633 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.6 -15.21 62.73 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.537 1.135 . . . . 0.0 111.543 178.211 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 41.9 mttp -94.56 -43.06 8.5 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 125.455 1.502 . . . . 0.0 109.183 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.0 mt -57.16 -58.18 6.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.2 -27.31 63.77 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.7 tttp -70.06 -57.29 5.14 Favored 'General case' 0 C--O 1.225 -0.22 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 179.171 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.07 -36.96 78.5 Favored 'General case' 0 C--O 1.224 -0.284 0 CA-C-O 118.179 -0.915 . . . . 0.0 111.483 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 83.3 mtp -56.59 -39.54 73.71 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 119.963 1.256 . . . . 0.0 108.394 178.278 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.25 -9.71 55.16 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 125.609 1.576 . . . . 0.0 113.948 179.081 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -89.6 0.33 57.01 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 118.913 1.356 . . . . 0.0 108.482 177.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.61 53.2 1.86 Allowed Glycine 0 C--N 1.34 0.79 0 C-N-CA 126.75 2.119 . . . . 0.0 112.935 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -137.11 158.46 44.39 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 118.126 0.963 . . . . 0.0 110.099 179.238 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.65 149.02 23.74 Favored 'General case' 0 C--N 1.338 0.096 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -50.06 -39.19 41.35 Favored 'General case' 0 C--O 1.224 -0.274 0 C-N-CA 124.516 1.127 . . . . 0.0 112.358 -179.1 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -59.93 -48.43 81.72 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 124.227 1.011 . . . . 0.0 112.205 -178.333 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -71.02 -38.54 72.62 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 125.362 1.465 . . . . 0.0 109.277 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 67.5 t -65.68 -46.02 90.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 124.57 1.148 . . . . 0.0 110.423 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -58.99 -40.62 85.4 Favored 'General case' 0 CA--C 1.515 -0.379 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.421 ' HD2' ' HA ' ' A' ' 28' ' ' ARG . 27.3 tpt180 -66.85 -43.42 83.69 Favored 'General case' 0 N--CA 1.449 -0.493 0 O-C-N 124.195 0.934 . . . . 0.0 109.528 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.05 -49.87 75.97 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 123.298 0.639 . . . . 0.0 109.588 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -66.27 -26.75 67.49 Favored 'General case' 0 C--N 1.34 0.178 0 CA-C-O 117.838 -1.077 . . . . 0.0 111.161 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -69.13 -58.44 4.07 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 120.163 1.347 . . . . 0.0 107.611 178.49 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 65.4 mt -56.41 -44.89 81.3 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 124.67 1.188 . . . . 0.0 109.234 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.47 7.94 1.24 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.622 1.569 . . . . 0.0 114.553 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 51.43 44.37 29.01 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 120.827 1.649 . . . . 0.0 109.895 -178.327 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.3 m120 59.74 32.14 21.23 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 127.852 2.461 . . . . 0.0 112.709 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -102.94 115.56 30.84 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 120.209 1.368 . . . . 0.0 109.931 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.4 t -57.13 -45.2 84.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 C-N-CA 125.298 1.439 . . . . 0.0 111.877 179.256 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -56.34 -45.06 80.58 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 125.11 1.364 . . . . 0.0 111.757 -178.179 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.664 HG11 HG11 ' B' ' 39' ' ' VAL . 47.2 t -77.1 -42.17 31.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 C-N-CA 123.584 0.754 . . . . 0.0 110.263 -179.646 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.57 -38.01 52.36 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.784 0.834 . . . . 0.0 112.033 -179.447 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -56.08 -51.0 69.44 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 118.311 0.505 . . . . 0.0 110.773 178.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.5 m -62.92 -29.24 70.63 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.198 0.999 . . . . 0.0 112.305 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 44.5 mt -68.78 -52.02 39.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 N-CA-C 107.826 -1.175 . . . . 0.0 107.826 179.196 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.9 mt -62.29 -34.71 77.11 Favored 'General case' 0 CA--C 1.521 -0.155 0 C-N-CA 123.904 0.882 . . . . 0.0 109.735 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 -65.61 -30.01 70.67 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 118.164 0.438 . . . . 0.0 110.119 178.585 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -77.47 -46.3 22.94 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 118.923 0.783 . . . . 0.0 108.947 178.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 . . . . . 0 CA--C 1.534 0.34 0 CA-C-O 118.877 -0.583 . . . . 0.0 112.361 -179.586 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 8.9 p . . . . . 0 N--CA 1.465 0.299 0 CA-C-O 118.692 -0.671 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.26 -43.02 96.52 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 120.046 1.294 . . . . 0.0 108.648 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.79 -18.39 65.04 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.663 0.785 . . . . 0.0 112.747 178.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -88.44 -44.63 10.59 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 107.089 -1.449 . . . . 0.0 107.089 178.487 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 60.3 mt -56.57 -51.99 58.89 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 N-CA-C 106.576 -1.639 . . . . 0.0 106.576 178.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.31 -17.08 40.34 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 179.38 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 42.7 tttp -82.03 -58.79 2.81 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 178.118 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.13 -36.02 76.56 Favored 'General case' 0 C--N 1.342 0.282 0 CA-C-N 119.448 1.022 . . . . 0.0 111.813 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 95.5 mtp -61.88 -26.05 67.92 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.075 0.852 . . . . 0.0 109.563 178.238 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.31 -20.92 79.52 Favored Glycine 0 C--N 1.336 0.531 0 C-N-CA 125.583 1.563 . . . . 0.0 111.403 178.684 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -72.27 -26.78 62.12 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.476 1.138 . . . . 0.0 108.598 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.21 -7.38 6.74 Favored Glycine 0 CA--C 1.53 0.993 0 CA-C-O 118.254 -1.304 . . . . 0.0 115.548 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -76.15 163.76 26.77 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 119.6 1.7 . . . . 0.0 112.872 -178.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.65 158.92 25.49 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.509 1.523 . . . . 0.0 110.388 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -56.87 -46.16 82.0 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.537 1.135 . . . . 0.0 113.458 -178.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -61.99 -46.74 87.92 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 118.827 0.74 . . . . 0.0 111.782 -178.191 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -56.91 -46.62 81.84 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 125.933 1.693 . . . . 0.0 110.511 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 75.8 t -64.88 -52.26 56.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 C-N-CA 123.859 0.863 . . . . 0.0 110.7 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 4.3 mtpt -56.87 -36.78 70.46 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.35 -179.48 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -65.19 -49.4 69.9 Favored 'General case' 0 C--N 1.338 0.086 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.2 -43.83 83.11 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.229 0.612 . . . . 0.0 111.606 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.74 -37.78 87.32 Favored 'General case' 0 C--N 1.342 0.244 0 CA-C-O 117.673 -1.156 . . . . 0.0 111.301 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -61.12 -52.19 65.93 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 119.666 1.121 . . . . 0.0 109.016 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 70.0 mt -60.34 -50.35 80.63 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.99 4.37 0.67 Allowed 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 116.043 1.868 . . . . 0.0 116.043 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 55.6 46.42 22.86 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 120.317 1.417 . . . . 0.0 108.935 -177.498 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 49.88 62.4 2.67 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 128.018 2.527 . . . . 0.0 110.96 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -132.03 123.84 28.08 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 124.892 1.277 . . . . 0.0 109.23 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 52.9 t -67.4 -44.06 87.24 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.067 0 CA-C-N 118.274 0.488 . . . . 0.0 111.811 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -53.21 -56.3 17.51 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.351 1.061 . . . . 0.0 109.083 -178.419 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.664 HG11 HG11 ' A' ' 39' ' ' VAL . 43.8 t -68.43 -42.24 83.85 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 CA-C-O 118.941 -0.552 . . . . 0.0 111.066 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.91 -32.05 65.54 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 119.579 1.081 . . . . 0.0 111.411 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 48.8 ttm-85 -60.73 -50.78 72.11 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 178.698 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 3.5 m -61.1 -34.94 75.75 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 118.459 -0.782 . . . . 0.0 111.404 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 63.0 mt -66.18 -51.9 54.1 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 26.6 mt -60.02 -31.28 69.8 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 121.861 -0.525 . . . . 0.0 109.893 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -71.98 -12.53 61.28 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 117.987 -1.006 . . . . 0.0 112.28 179.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -93.24 -56.32 2.99 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 178.272 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -63.08 -53.0 60.48 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 122.963 0.505 . . . . 0.0 110.881 -178.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 9.5 t . . . . . 0 C--O 1.238 0.461 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 179.491 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 CA--C 1.538 0.501 0 N-CA-C 111.488 0.181 . . . . 0.0 111.488 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.03 -52.87 38.72 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 125.141 1.376 . . . . 0.0 111.253 -179.259 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.69 -33.21 69.9 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.951 0.9 . . . . 0.0 111.698 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 54.4 mttp -68.88 -45.45 70.95 Favored 'General case' 0 C--O 1.227 -0.099 0 N-CA-C 108.517 -0.919 . . . . 0.0 108.517 179.123 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 81.7 mt -60.63 -51.09 77.09 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 N-CA-C 107.259 -1.385 . . . . 0.0 107.259 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.74 -37.71 66.24 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 119.339 -0.363 . . . . 0.0 111.15 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -61.58 -56.87 15.18 Favored 'General case' 0 C--N 1.34 0.182 0 CA-C-O 118.485 -0.769 . . . . 0.0 110.222 179.446 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -58.27 -39.74 80.05 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.949 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 97.6 mtp -56.98 -36.87 70.85 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 119.914 1.234 . . . . 0.0 109.652 178.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.37 -11.49 52.78 Favored Glycine 0 CA--C 1.527 0.785 0 CA-C-O 118.62 -1.1 . . . . 0.0 112.824 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -95.18 -2.3 50.03 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.25 1.42 . . . . 0.0 109.577 178.533 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.0 68.66 1.14 Allowed Glycine 0 C--N 1.336 0.554 0 C-N-CA 126.182 1.849 . . . . 0.0 114.892 178.214 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -149.83 153.26 36.48 Favored 'General case' 0 C--O 1.239 0.544 0 C-N-CA 125.192 1.397 . . . . 0.0 107.93 178.356 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.11 148.99 39.24 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 122.312 0.245 . . . . 0.0 110.341 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -53.25 -38.46 63.01 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.058 0.943 . . . . 0.0 111.651 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -62.75 -53.21 57.79 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.779 1.632 . . . . 0.0 110.579 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -57.04 -48.39 78.63 Favored 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 125.68 1.592 . . . . 0.0 108.914 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 99.5 t -61.14 -47.14 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 C-N-CA 124.858 1.263 . . . . 0.0 110.087 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -56.64 -43.74 80.57 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -64.7 -50.55 66.52 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 119.447 -0.901 . . . . 0.0 109.261 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.25 -44.58 79.8 Favored 'General case' 0 N--CA 1.446 -0.635 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -65.06 -38.52 91.07 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 119.594 1.088 . . . . 0.0 109.842 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -62.34 -53.74 50.64 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 119.02 0.827 . . . . 0.0 109.386 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 64.6 mt -56.84 -44.75 82.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.39 4.67 1.63 Allowed 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.851 1.66 . . . . 0.0 113.735 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 50.49 47.64 23.76 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 123.157 1.456 . . . . 0.0 109.014 -177.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 52.42 54.68 10.27 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 130.993 3.717 . . . . 0.0 113.694 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -129.28 112.32 13.76 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 178.363 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.8 t -46.78 -49.53 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 C-N-CA 126.374 1.87 . . . . 0.0 112.025 -179.218 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -52.26 -40.15 61.35 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 124.826 1.25 . . . . 0.0 113.445 -178.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.764 HG11 HG11 ' B' ' 39' ' ' VAL . 42.6 t -86.94 -36.07 9.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 C-N-CA 123.771 0.828 . . . . 0.0 110.425 -178.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.56 -35.37 70.26 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 118.686 0.676 . . . . 0.0 109.223 178.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 64.6 mtt180 -58.32 -53.7 55.38 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.414 1.086 . . . . 0.0 109.12 178.019 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.0 m -56.71 -43.87 81.0 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.551 1.54 . . . . 0.0 110.434 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 66.0 mt -62.31 -50.05 81.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 C-N-CA 124.229 1.012 . . . . 0.0 109.105 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 33.8 mt -62.15 -28.37 69.6 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.881 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.9 mmt85 -65.17 -41.79 94.3 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 119.803 1.183 . . . . 0.0 109.873 179.17 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -70.61 -39.32 73.84 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.431 0.559 . . . . 0.0 109.777 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 . . . . . 0 CA--C 1.532 0.263 0 CA-C-N 118.978 0.808 . . . . 0.0 111.897 -179.648 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 9.1 p . . . . . 0 CA--C 1.537 0.444 0 N-CA-C 110.47 -0.196 . . . . 0.0 110.47 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -58.34 -34.47 70.67 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 124.877 1.271 . . . . 0.0 110.607 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.69 -45.28 62.38 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 43.8 mttp -63.04 -39.43 94.72 Favored 'General case' 0 C--O 1.225 -0.225 0 C-N-CA 124.375 1.07 . . . . 0.0 109.939 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 38.0 mt -63.02 -58.12 9.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 N-CA-C 106.535 -1.654 . . . . 0.0 106.535 178.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.06 -34.42 60.02 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 111.573 0.212 . . . . 0.0 111.573 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 18.2 tptt -59.22 -62.58 1.77 Allowed 'General case' 0 C--N 1.339 0.141 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 178.586 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -57.83 -40.21 79.48 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-O 118.64 -0.695 . . . . 0.0 111.175 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 91.4 mtp -59.79 -33.92 72.35 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 119.783 1.174 . . . . 0.0 110.018 178.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.8 -23.59 67.47 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 178.513 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -80.36 -1.5 41.45 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.01 1.324 . . . . 0.0 111.311 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.12 53.63 1.86 Allowed Glycine 0 C--N 1.339 0.711 0 CA-C-O 118.041 -1.422 . . . . 0.0 116.276 177.323 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -134.63 153.42 51.99 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-N 117.99 0.895 . . . . 0.0 110.954 178.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.06 151.86 45.03 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 125.126 1.37 . . . . 0.0 110.201 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -57.92 -41.02 81.8 Favored 'General case' 0 C--N 1.333 -0.15 0 O-C-N 121.562 -0.711 . . . . 0.0 111.8 -179.444 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -60.74 -48.79 80.22 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 123.339 0.656 . . . . 0.0 110.802 -178.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -63.14 -48.31 79.01 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 125.308 1.443 . . . . 0.0 110.438 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 96.3 t -60.69 -48.02 90.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 O-C-N 120.941 -1.1 . . . . 0.0 111.61 -179.295 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -59.09 -38.99 80.8 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -63.03 -54.61 35.49 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.47 -46.87 76.8 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 124.622 1.169 . . . . 0.0 112.571 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.31 -37.69 87.91 Favored 'General case' 0 C--N 1.342 0.282 0 CA-C-O 117.644 -1.169 . . . . 0.0 110.932 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -61.39 -55.1 35.24 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 119.932 1.242 . . . . 0.0 109.625 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 77.2 mt -54.36 -48.32 68.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 C-N-CA 125.218 1.407 . . . . 0.0 108.602 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.13 11.38 0.32 Allowed 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 126.471 1.909 . . . . 0.0 115.535 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 50.39 44.84 26.72 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 121.257 1.844 . . . . 0.0 108.955 -177.575 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 49.17 53.59 12.36 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 128.024 2.53 . . . . 0.0 111.128 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 64.7 t-20 -121.11 114.75 21.9 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 28.7 t -55.14 -46.01 77.45 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 C-N-CA 124.627 1.171 . . . . 0.0 111.011 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -59.46 -38.49 80.91 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 125.534 1.533 . . . . 0.0 111.863 -177.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.764 HG11 HG11 ' A' ' 39' ' ' VAL . 80.1 t -83.44 -40.43 16.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 179.139 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.72 -34.09 67.15 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 118.898 0.772 . . . . 0.0 109.719 179.121 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 -58.5 -50.1 74.99 Favored 'General case' 0 C--N 1.339 0.151 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 178.013 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 69.6 m -61.33 -42.22 98.32 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.744 0.818 . . . . 0.0 111.215 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 72.9 mt -59.75 -50.36 80.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 13.4 mt -63.24 -27.25 69.22 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.919 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 20.7 mmt85 -65.86 -38.36 88.63 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 120.448 1.476 . . . . 0.0 109.89 178.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -68.22 -49.64 59.38 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 118.502 0.592 . . . . 0.0 110.042 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -63.69 -51.81 63.4 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.913 0.885 . . . . 0.0 111.079 -179.533 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 40.9 t . . . . . 0 C--O 1.239 0.519 0 C-N-CA 125.662 1.585 . . . . 0.0 108.19 179.084 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.5 t . . . . . 0 CA--C 1.529 0.169 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -59.21 -44.9 92.27 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 123.605 0.762 . . . . 0.0 110.054 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.3 -16.63 63.78 Favored 'General case' 0 CA--C 1.527 0.085 0 C-N-CA 123.742 0.817 . . . . 0.0 112.096 179.203 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 47.7 mttp -93.34 -43.5 8.75 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.579 1.151 . . . . 0.0 108.202 179.118 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 63.5 mt -60.52 -53.67 45.73 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 178.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.21 -13.86 14.61 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.016 0.926 . . . . 0.0 112.244 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.9 tptm -77.47 -63.54 1.35 Allowed 'General case' 0 C--O 1.234 0.253 0 N-CA-C 107.386 -1.339 . . . . 0.0 107.386 178.547 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.67 -35.06 73.69 Favored 'General case' 0 CA--C 1.516 -0.35 0 C-N-CA 125.272 1.429 . . . . 0.0 111.77 -179.242 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 89.4 mtp -59.93 -18.86 48.3 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 118.668 0.667 . . . . 0.0 110.997 178.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.13 -26.95 65.15 Favored Glycine 0 CA--C 1.528 0.902 0 O-C-N 120.926 -1.109 . . . . 0.0 111.363 178.14 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -76.34 -11.01 59.83 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.914 1.286 . . . . 0.0 112.518 -179.337 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 117.08 -19.44 11.91 Favored Glycine 0 CA--C 1.526 0.732 0 C-N-CA 125.223 1.392 . . . . 0.0 114.833 178.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -62.64 146.87 51.02 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 118.538 1.169 . . . . 0.0 110.789 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.83 158.19 31.0 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 124.866 1.267 . . . . 0.0 111.229 -178.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -54.71 -45.29 74.0 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 113.134 0.791 . . . . 0.0 113.134 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -61.21 -49.18 78.2 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 112.805 0.668 . . . . 0.0 112.805 -178.171 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -58.93 -47.01 86.58 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 125.853 1.661 . . . . 0.0 109.237 -179.063 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 73.3 t -66.58 -52.13 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 124.592 1.157 . . . . 0.0 111.694 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.2 ttpt -54.88 -39.75 69.03 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.9 tpt180 -68.69 -45.64 71.12 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.47 -42.1 91.26 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.204 0.602 . . . . 0.0 111.929 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.55 -36.49 83.96 Favored 'General case' 0 C--N 1.342 0.247 0 CA-C-O 117.254 -1.355 . . . . 0.0 110.981 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -61.56 -53.31 57.98 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 120.616 1.553 . . . . 0.0 109.096 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 61.0 mt -56.94 -43.77 81.25 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 C-N-CA 125.083 1.353 . . . . 0.0 108.337 -179.39 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.22 6.6 3.4 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 127.611 2.364 . . . . 0.0 114.274 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.404 ' HG3' HG22 ' B' ' 39' ' ' VAL . 5.2 mm100 55.55 41.92 30.22 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 120.065 1.302 . . . . 0.0 110.047 -178.471 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.3 t30 51.42 62.85 2.5 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 128.214 2.606 . . . . 0.0 110.95 -179.087 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -139.58 113.04 8.37 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 124.849 1.26 . . . . 0.0 110.193 178.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.8 t -56.78 -42.24 77.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 C-N-CA 124.754 1.222 . . . . 0.0 110.159 179.006 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -55.16 -28.27 51.59 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 125.466 1.506 . . . . 0.0 111.518 -178.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.546 HG11 HG11 ' B' ' 39' ' ' VAL . 37.0 t -99.86 -41.44 9.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 CA-C-O 118.637 -0.697 . . . . 0.0 109.536 178.602 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.52 -31.69 36.72 Favored 'General case' 0 C--N 1.342 0.282 0 C-N-CA 123.637 0.775 . . . . 0.0 111.242 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 55.4 mtt180 -57.01 -53.9 52.78 Favored 'General case' 0 C--N 1.341 0.199 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 177.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.5 m -60.1 -34.71 73.85 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.048 0.539 . . . . 0.0 111.889 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 79.5 mt -67.54 -52.7 38.49 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 C-N-CA 123.904 0.882 . . . . 0.0 108.949 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.1 mt -61.32 -30.12 70.3 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.36 0.664 . . . . 0.0 110.14 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 57.9 mtp85 -65.44 -20.0 66.18 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.253 0.621 . . . . 0.0 110.911 178.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -99.32 -47.36 5.19 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 119.398 0.999 . . . . 0.0 108.514 177.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 . . . . . 0 C--N 1.343 0.308 0 CA-C-O 118.168 -0.92 . . . . 0.0 112.889 -179.495 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 48.3 t . . . . . 0 N--CA 1.465 0.285 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -60.77 -25.94 66.88 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 121.276 -0.89 . . . . 0.0 111.147 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.57 -19.28 63.54 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 118.56 0.618 . . . . 0.0 110.755 178.039 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 30.6 mttp -89.36 -41.83 11.9 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 125.657 1.583 . . . . 0.0 107.558 178.15 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 73.3 mt -59.44 -52.84 56.22 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.03 -28.65 64.67 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 13.5 tptm -64.74 -65.02 0.73 Allowed 'General case' 0 C--O 1.234 0.239 0 N-CA-C 107.778 -1.194 . . . . 0.0 107.778 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.6 -37.98 83.16 Favored 'General case' 0 C--O 1.225 -0.218 0 C-N-CA 124.302 1.041 . . . . 0.0 111.952 -179.464 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 81.0 mtp -58.09 -28.21 64.39 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 120.157 1.344 . . . . 0.0 110.176 179.015 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.26 -14.02 82.28 Favored Glycine 0 CA--C 1.526 0.726 0 O-C-N 121.276 -0.89 . . . . 0.0 112.153 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -80.64 -15.22 57.12 Favored 'General case' 0 C--O 1.228 -0.037 0 CA-C-N 118.749 1.275 . . . . 0.0 111.377 178.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.95 52.4 0.74 Allowed Glycine 0 CA--C 1.522 0.521 0 C-N-CA 124.698 1.142 . . . . 0.0 112.86 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -136.58 144.78 44.32 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 178.647 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.75 155.95 39.2 Favored 'General case' 0 C--O 1.233 0.2 0 O-C-N 123.776 0.672 . . . . 0.0 110.651 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -55.85 -42.52 75.94 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 121.961 -0.462 . . . . 0.0 110.95 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -66.01 -21.72 66.41 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.75 0.82 . . . . 0.0 113.073 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -87.85 -43.19 12.01 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 123.846 0.859 . . . . 0.0 108.712 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 81.6 t -69.52 -55.79 13.9 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 C-N-CA 125.392 1.477 . . . . 0.0 112.433 -178.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 17.1 ttpt -56.69 -37.55 71.04 Favored 'General case' 0 CA--C 1.523 -0.096 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 -65.53 -46.18 80.6 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.8 -45.79 81.99 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 122.677 0.391 . . . . 0.0 110.368 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.43 -41.02 98.41 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-O 117.972 -1.014 . . . . 0.0 109.651 179.256 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -53.94 -54.51 37.91 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.885 1.274 . . . . 0.0 110.248 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 80.2 mt -63.7 -49.55 81.73 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 C-N-CA 126.112 1.765 . . . . 0.0 110.241 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.85 6.87 0.44 Allowed 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 125.746 1.618 . . . . 0.0 114.701 -179.311 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 57.48 50.16 11.66 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.334 1.054 . . . . 0.0 108.376 -178.055 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 54.9 t30 48.54 50.99 16.17 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 128.009 2.524 . . . . 0.0 113.393 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 64.9 t-20 -127.71 118.34 23.62 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 120.723 -1.235 . . . . 0.0 109.543 179.407 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 24.1 t -60.78 -41.17 87.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 C-N-CA 125.91 1.684 . . . . 0.0 111.933 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -63.76 -25.55 68.24 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 124.273 1.029 . . . . 0.0 111.896 -178.57 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.546 HG11 HG11 ' A' ' 39' ' ' VAL . 64.6 t -99.19 -39.41 7.8 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 124.443 1.097 . . . . 0.0 109.958 -178.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.93 -30.02 68.77 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.069 0.948 . . . . 0.0 111.136 179.024 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -56.23 -48.76 75.85 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 178.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 29.7 m -61.55 -32.75 72.84 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 76.5 mt -67.6 -51.88 46.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 19.1 mt -59.65 -37.0 77.51 Favored 'General case' 0 C--O 1.226 -0.159 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 45.4 mtp85 -65.59 -25.1 67.25 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 118.983 -0.532 . . . . 0.0 111.138 178.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -91.32 -39.94 11.76 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 118.098 -0.953 . . . . 0.0 112.115 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -76.14 -52.42 10.14 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 119.242 0.928 . . . . 0.0 109.212 178.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.445 -0.703 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 74.7 t . . . . . 0 CA--C 1.533 0.306 0 N-CA-C 105.555 -2.017 . . . . 0.0 105.555 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -57.96 -44.75 87.2 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.095 1.358 . . . . 0.0 111.447 179.627 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.4 -16.56 63.74 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.839 -0.538 . . . . 0.0 110.874 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.438 ' HB3' HD11 ' A' ' 30' ' ' LEU . 27.7 mttp -90.41 -34.22 15.72 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 117.84 -1.076 . . . . 0.0 108.474 178.688 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 45.1 mt -57.59 -57.24 11.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 177.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.05 -35.61 64.67 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.639 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.1 tptm -63.11 -58.33 7.6 Favored 'General case' 0 C--O 1.226 -0.14 0 C-N-CA 123.727 0.811 . . . . 0.0 110.118 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.403 ' HB2' HG13 ' A' ' 26' ' ' VAL . 4.3 mm? -64.04 -36.65 84.68 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-O 118.105 -0.95 . . . . 0.0 111.87 -179.19 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 92.1 mtp -56.17 -37.62 69.81 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 119.68 1.127 . . . . 0.0 109.797 179.046 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.2 -17.64 59.46 Favored Glycine 0 C--N 1.34 0.788 0 C-N-CA 124.773 1.178 . . . . 0.0 113.787 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -79.22 -18.23 53.29 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.984 1.392 . . . . 0.0 110.086 179.075 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.03 59.26 0.66 Allowed Glycine 0 CA--C 1.527 0.797 0 C-N-CA 125.034 1.302 . . . . 0.0 111.948 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -137.33 159.38 42.09 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 125.296 1.438 . . . . 0.0 108.105 178.456 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.75 148.78 26.86 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.441 0.564 . . . . 0.0 109.601 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -51.31 -42.52 61.25 Favored 'General case' 0 C--O 1.231 0.089 0 C-N-CA 125.154 1.381 . . . . 0.0 112.389 -179.312 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -61.62 -31.74 71.84 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -178.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -84.59 -36.85 21.77 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 124.286 1.035 . . . . 0.0 110.095 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.403 HG13 ' HB2' ' A' ' 16' ' ' LEU . 44.7 t -62.7 -46.48 96.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 C-N-CA 124.803 1.241 . . . . 0.0 108.953 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -58.85 -39.6 81.76 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -63.61 -50.49 69.18 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.54 -48.51 74.59 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.534 0.733 . . . . 0.0 112.873 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.438 HD11 ' HB3' ' A' ' 12' ' ' LYS . 4.1 mm? -63.96 -41.53 97.55 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 118.519 -0.753 . . . . 0.0 112.759 -178.621 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -60.09 -52.0 67.22 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 118.834 0.743 . . . . 0.0 109.483 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 88.2 mt -60.51 -52.25 63.59 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 C-N-CA 125.148 1.379 . . . . 0.0 111.257 -179.016 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.6 ' HB2' HD12 ' A' ' 43' ' ' ILE . . . -73.01 8.74 1.43 Allowed 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 115.246 1.573 . . . . 0.0 115.246 -178.751 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 55.79 57.27 5.34 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 122.859 1.314 . . . . 0.0 110.656 -179.027 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 40.54 55.26 2.92 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 130.819 3.647 . . . . 0.0 114.753 179.041 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 56.9 t-20 -126.11 110.78 13.9 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 127.037 2.135 . . . . 0.0 108.252 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 38.1 t -52.08 -42.84 36.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 C-N-CA 125.328 1.451 . . . . 0.0 111.942 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -56.42 -52.11 65.87 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.73 1.212 . . . . 0.0 112.181 -178.345 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.48 ' HB ' ' HB1' ' A' ' 33' ' ' ALA . 14.7 t -71.87 -39.99 68.17 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 C-N-CA 124.479 1.112 . . . . 0.0 109.847 -179.468 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.55 -36.54 69.4 Favored 'General case' 0 CA--C 1.53 0.203 0 O-C-N 121.481 -0.762 . . . . 0.0 111.482 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.6 mtm180 -61.83 -46.09 91.01 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 178.484 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 75.0 m -59.59 -34.38 72.66 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 118.91 0.777 . . . . 0.0 111.364 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.6 HD12 ' HB2' ' A' ' 33' ' ' ALA . 58.3 mt -63.92 -50.64 76.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.042 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.8 mt -62.15 -24.77 67.37 Favored 'General case' 0 CA--C 1.527 0.085 0 C-N-CA 124.237 1.015 . . . . 0.0 111.333 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 23.0 mmt85 -64.1 -38.56 91.5 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 120.006 1.275 . . . . 0.0 110.529 178.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -76.82 -39.55 50.93 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 . . . . . 0 C--O 1.226 -0.141 0 CA-C-N 118.381 0.537 . . . . 0.0 111.94 -179.585 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 48.7 t . . . . . 0 CA--C 1.529 0.169 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -57.76 -49.36 76.85 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 124.568 1.147 . . . . 0.0 110.854 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.41 -18.33 64.61 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 121.947 -0.471 . . . . 0.0 111.575 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -84.18 -42.07 16.35 Favored 'General case' 0 CA--C 1.518 -0.267 0 C-N-CA 123.657 0.783 . . . . 0.0 109.531 179.017 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 49.7 mt -59.09 -54.7 30.59 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.24 -35.16 25.64 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 36.1 tttt -62.01 -56.17 21.82 Favored 'General case' 0 CA--C 1.527 0.058 0 C-N-CA 125.611 1.564 . . . . 0.0 111.233 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -67.08 -36.89 82.97 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-N 118.744 0.702 . . . . 0.0 109.665 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 99.3 mtp -59.19 -33.18 70.65 Favored 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.08 -27.29 62.27 Favored Glycine 0 CA--C 1.526 0.723 0 CA-C-O 118.833 -0.982 . . . . 0.0 112.803 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -71.87 -21.36 61.67 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 118.697 1.248 . . . . 0.0 110.595 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.81 -8.41 6.45 Favored Glycine 0 CA--C 1.527 0.818 0 CA-C-O 117.911 -1.494 . . . . 0.0 114.245 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -69.28 163.68 24.5 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 119.143 1.471 . . . . 0.0 111.988 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.51 155.53 19.6 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.556 1.543 . . . . 0.0 109.94 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -56.47 -46.69 80.29 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 124.586 1.154 . . . . 0.0 113.651 -179.007 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -56.8 -45.78 81.99 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 112.516 0.561 . . . . 0.0 112.516 -177.413 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -63.05 -49.21 75.46 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 126.279 1.832 . . . . 0.0 110.588 -178.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 75.2 t -65.32 -50.85 70.9 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 C-N-CA 124.263 1.025 . . . . 0.0 111.416 -179.243 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.3 ttpt -55.22 -39.53 69.78 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -67.79 -50.29 57.74 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.41 -43.18 75.05 Favored 'General case' 0 N--CA 1.457 -0.088 0 C-N-CA 124.444 1.097 . . . . 0.0 112.265 -179.5 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.83 -33.04 73.44 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 117.234 -1.365 . . . . 0.0 110.476 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -69.81 -50.82 39.2 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 120.807 1.64 . . . . 0.0 109.593 179.028 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 65.4 mt -55.57 -39.39 54.05 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 C-N-CA 123.845 0.858 . . . . 0.0 109.6 -179.619 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.17 3.56 14.86 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 127.541 2.337 . . . . 0.0 113.871 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 54.96 55.74 7.41 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.757 1.223 . . . . 0.0 108.096 -177.121 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 29.6 m120 44.51 54.9 6.11 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 130.711 3.605 . . . . 0.0 111.031 -179.22 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 56.7 t-20 -127.7 121.19 29.73 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 123.869 0.868 . . . . 0.0 110.467 -179.502 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 23.9 t -65.09 -44.32 95.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 124.242 1.017 . . . . 0.0 111.398 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -56.63 -42.14 78.34 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 123.955 0.902 . . . . 0.0 110.312 -178.014 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.554 HG13 ' HA ' ' A' ' 33' ' ' ALA . 61.4 t -80.3 -40.08 19.6 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 122.638 0.375 . . . . 0.0 111.345 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.73 -30.1 55.27 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 119.167 0.894 . . . . 0.0 111.332 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 42.7 mtt-85 -53.03 -59.43 4.55 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.229 1.011 . . . . 0.0 109.727 178.153 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 3.5 m -60.39 -32.82 71.68 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.135 0.974 . . . . 0.0 112.892 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 66.8 mt -66.89 -53.53 33.53 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-N 119.256 0.935 . . . . 0.0 108.595 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 19.8 mt -58.68 -32.1 68.82 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 122.719 0.408 . . . . 0.0 110.506 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -66.24 -20.34 66.09 Favored 'General case' 0 C--N 1.339 0.149 0 CA-C-O 118.009 -0.996 . . . . 0.0 111.603 179.179 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -92.07 -45.43 8.3 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 120.447 1.476 . . . . 0.0 110.426 178.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -68.18 -30.14 69.17 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 123.688 0.617 . . . . 0.0 112.149 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 32.7 t . . . . . 0 N--CA 1.453 -0.3 0 C-N-CA 123.989 0.916 . . . . 0.0 110.998 -179.758 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.225 -0.235 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -57.27 -46.63 82.91 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 118.719 0.69 . . . . 0.0 111.248 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.13 -16.27 51.4 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 118.892 0.769 . . . . 0.0 112.778 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.5 mttt -91.36 -43.46 9.75 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 107.599 -1.259 . . . . 0.0 107.599 179.064 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 52.5 mt -59.14 -51.75 68.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 N-CA-C 106.901 -1.518 . . . . 0.0 106.901 178.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.66 -44.72 66.38 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 178.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.6 tttp -58.47 -57.63 12.08 Favored 'General case' 0 C--N 1.34 0.156 0 CA-C-O 118.03 -0.986 . . . . 0.0 111.223 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -58.87 -38.63 79.24 Favored 'General case' 0 C--N 1.343 0.286 0 CA-C-N 119.657 1.117 . . . . 0.0 110.898 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 80.1 mtp -58.09 -33.45 69.11 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 119.34 0.973 . . . . 0.0 109.412 179.05 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.19 -16.39 73.07 Favored Glycine 0 CA--C 1.533 1.164 0 C-N-CA 125.148 1.356 . . . . 0.0 112.502 178.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -79.72 -20.09 47.27 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 119.25 1.525 . . . . 0.0 109.166 178.194 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.88 55.68 0.44 Allowed Glycine 0 C--N 1.337 0.629 0 C-N-CA 125.576 1.56 . . . . 0.0 112.106 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -139.49 150.57 45.31 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 118.391 1.095 . . . . 0.0 108.068 178.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.37 155.92 24.48 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 121.616 0.722 . . . . 0.0 111.0 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -55.86 -39.12 71.04 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.922 1.289 . . . . 0.0 113.331 -179.013 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -67.97 -20.16 65.02 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 122.953 0.501 . . . . 0.0 112.099 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -91.78 -46.49 7.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 122.573 1.178 . . . . 0.0 109.074 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 89.0 t -65.08 -53.34 42.24 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 C-N-CA 125.676 1.591 . . . . 0.0 113.321 -177.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -55.58 -38.14 68.99 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 118.217 0.462 . . . . 0.0 110.106 -179.416 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.8 tpt180 -62.87 -50.7 69.86 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 179.217 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.62 -41.19 85.36 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.077 0.399 . . . . 0.0 111.728 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -67.21 -32.6 73.76 Favored 'General case' 0 C--N 1.341 0.225 0 O-C-N 121.023 -1.048 . . . . 0.0 110.99 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -65.05 -52.92 53.03 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 178.624 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 66.8 mt -58.28 -51.58 69.47 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 124.527 1.131 . . . . 0.0 109.586 -179.53 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.77 6.22 0.52 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.519 1.928 . . . . 0.0 115.61 -179.06 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 54.82 31.38 15.5 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 120.332 1.424 . . . . 0.0 109.996 -177.658 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.2 m120 71.65 22.33 4.08 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 130.733 3.613 . . . . 0.0 115.911 179.276 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 -92.08 118.6 30.97 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 120.446 1.476 . . . . 0.0 107.692 178.012 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 25.6 t -61.82 -42.88 96.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 O-C-N 121.194 -0.941 . . . . 0.0 111.149 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -53.08 -39.56 63.41 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 123.955 0.902 . . . . 0.0 110.947 -177.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.438 HG11 HG11 ' B' ' 39' ' ' VAL . 60.7 t -80.59 -45.51 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.575 0 C-N-CA 126.832 2.053 . . . . 0.0 110.43 -179.648 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.4 -28.82 60.44 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.568 0.747 . . . . 0.0 111.934 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -59.68 -50.02 75.46 Favored 'General case' 0 C--O 1.227 -0.11 0 CA-C-O 118.955 -0.545 . . . . 0.0 110.06 178.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.2 m -56.67 -41.77 77.83 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.373 0.669 . . . . 0.0 111.868 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 69.2 mt -57.33 -56.97 12.01 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 N-CA-C 108.05 -1.092 . . . . 0.0 108.05 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 40.0 mt -59.34 -32.67 70.31 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 118.43 -0.795 . . . . 0.0 111.854 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 32.1 mtm180 -68.08 -28.35 67.28 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 119.556 1.071 . . . . 0.0 112.255 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -94.99 -29.35 14.67 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 118.954 0.797 . . . . 0.0 111.736 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 . . . . . 0 CA--C 1.535 0.397 0 N-CA-C 105.194 -2.15 . . . . 0.0 105.194 176.806 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 8.8 t . . . . . 0 N--CA 1.465 0.306 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -60.83 -47.69 85.21 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 123.943 0.897 . . . . 0.0 112.717 -179.065 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.36 -20.12 58.22 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.425 0.69 . . . . 0.0 111.527 179.276 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 48.7 mttp -89.36 -44.27 10.33 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.684 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 44.4 mt -54.55 -53.2 33.3 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.084 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.24 -21.9 64.31 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 179.286 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 38.8 tttp -77.41 -54.65 6.19 Favored 'General case' 0 C--N 1.34 0.195 0 O-C-N 120.645 -1.285 . . . . 0.0 108.522 178.709 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -63.14 -40.41 97.49 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 119.648 1.113 . . . . 0.0 109.531 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 92.2 mtp -62.87 -30.03 71.21 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 178.109 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.65 -34.23 85.45 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 109.748 -1.341 . . . . 0.0 109.748 179.166 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -66.17 -49.24 68.05 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 105.122 -2.177 . . . . 0.0 105.122 177.54 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 151.98 -7.12 0.55 Allowed Glycine 0 C--N 1.343 0.931 0 CA-C-O 117.287 -1.84 . . . . 0.0 117.434 178.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -68.86 150.16 48.1 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 120.704 2.252 . . . . 0.0 112.157 -178.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.75 155.97 39.73 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 125.345 1.458 . . . . 0.0 112.506 -179.449 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -56.91 -41.29 77.87 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.004 0.521 . . . . 0.0 112.049 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.8 -31.47 71.69 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 123.852 0.861 . . . . 0.0 111.853 -179.544 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -84.45 -45.47 12.65 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 123.698 0.799 . . . . 0.0 111.311 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 80.3 t -60.51 -61.03 1.72 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 C-N-CA 125.621 1.568 . . . . 0.0 112.933 -177.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 12.2 tttt -56.16 -35.45 67.19 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 118.762 0.71 . . . . 0.0 111.093 -178.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -64.25 -53.11 54.25 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 106.91 -1.515 . . . . 0.0 106.91 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.18 -43.11 82.3 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.122 0.569 . . . . 0.0 111.143 179.073 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.27 -28.03 68.4 Favored 'General case' 0 N--CA 1.464 0.238 0 O-C-N 121.316 -0.865 . . . . 0.0 111.519 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -71.48 -55.47 7.82 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 107.394 -1.335 . . . . 0.0 107.394 178.665 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 28.1 mt -54.06 -46.77 66.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 C-N-CA 125.971 1.708 . . . . 0.0 110.04 -179.388 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.35 7.03 2.48 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.559 1.944 . . . . 0.0 115.289 -179.234 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 51.74 40.35 27.36 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 120.928 1.695 . . . . 0.0 108.165 -176.226 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 7.3 m120 66.59 9.31 6.5 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 129.559 3.143 . . . . 0.0 114.545 -179.476 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -76.93 117.24 18.32 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 121.822 2.101 . . . . 0.0 111.041 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 52.0 t -58.53 -42.81 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 C-N-CA 124.695 1.198 . . . . 0.0 111.453 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -65.21 -26.51 68.16 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -177.357 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.438 HG11 HG11 ' A' ' 39' ' ' VAL . 86.9 t -86.24 -44.16 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 N-CA-C 106.614 -1.624 . . . . 0.0 106.614 178.365 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.12 -35.89 49.57 Favored 'General case' 0 C--N 1.343 0.318 0 C-N-CA 123.971 0.908 . . . . 0.0 110.81 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 30.9 mtt85 -55.58 -53.16 59.9 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 118.655 0.661 . . . . 0.0 110.084 178.208 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 11.9 m -57.27 -29.1 63.57 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 125.068 1.347 . . . . 0.0 113.484 -179.232 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 71.8 mt -76.25 -51.85 18.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 C-N-CA 124.782 1.233 . . . . 0.0 107.846 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 59.6 mt -61.4 -32.38 72.32 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.426 0.691 . . . . 0.0 110.424 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -63.67 -34.69 78.41 Favored 'General case' 0 C--N 1.343 0.307 0 CA-C-O 118.822 -0.609 . . . . 0.0 110.546 179.096 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -84.67 -43.16 14.62 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 119.677 1.126 . . . . 0.0 109.952 179.329 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -66.36 -52.14 49.98 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 115.259 1.577 . . . . 0.0 115.259 -179.024 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 33.4 t . . . . . 0 N--CA 1.466 0.353 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -178.459 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.8 t . . . . . 0 CA--C 1.52 -0.209 0 N-CA-C 108.725 -0.842 . . . . 0.0 108.725 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -59.39 -42.66 92.24 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -179.448 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.35 -34.4 77.24 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.839 -0.538 . . . . 0.0 110.527 178.378 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 45.5 mttt -68.49 -41.52 79.95 Favored 'General case' 0 C--O 1.224 -0.239 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 178.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 36.4 mt -57.78 -53.33 46.38 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.302 0 N-CA-C 105.676 -1.972 . . . . 0.0 105.676 178.509 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.57 -35.43 65.76 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 122.452 0.301 . . . . 0.0 111.652 178.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.5 tptp -61.52 -52.38 64.71 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.064 0.946 . . . . 0.0 109.0 178.778 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.92 -35.65 67.09 Favored 'General case' 0 C--O 1.225 -0.193 0 CA-C-N 119.411 1.005 . . . . 0.0 111.999 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 83.2 mtp -58.75 -35.79 73.3 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 119.893 1.224 . . . . 0.0 107.984 178.6 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.62 -18.54 61.58 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 125.095 1.331 . . . . 0.0 112.7 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -72.12 -35.62 69.19 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 119.48 1.64 . . . . 0.0 108.201 178.296 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 122.84 58.57 0.2 Allowed Glycine 0 CA--C 1.525 0.686 0 C-N-CA 125.017 1.294 . . . . 0.0 111.976 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -137.13 160.3 39.37 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 125.363 1.465 . . . . 0.0 109.197 178.359 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.16 157.49 25.26 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.987 0.915 . . . . 0.0 110.025 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -55.98 -43.62 77.76 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.474 1.11 . . . . 0.0 113.237 -178.535 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -56.83 -49.49 75.26 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 118.889 0.768 . . . . 0.0 112.072 -178.329 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -59.34 -48.46 81.55 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 126.028 1.731 . . . . 0.0 110.709 -178.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 87.9 t -62.76 -46.35 96.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 123.851 0.86 . . . . 0.0 110.566 -179.548 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.33 -37.38 83.05 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 118.949 -0.548 . . . . 0.0 109.627 -179.749 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.11 -54.19 47.7 Favored 'General case' 0 C--N 1.34 0.186 0 C-N-CA 125.204 1.402 . . . . 0.0 107.377 179.029 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.31 -49.13 72.97 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 124.629 1.171 . . . . 0.0 110.982 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.91 -36.02 83.03 Favored 'General case' 0 C--N 1.34 0.183 0 CA-C-N 119.759 1.163 . . . . 0.0 111.924 -179.486 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -63.27 -56.25 18.04 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-N 119.871 1.214 . . . . 0.0 109.454 179.329 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 77.4 mt -57.21 -50.41 76.71 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 C-N-CA 125.363 1.465 . . . . 0.0 108.447 -179.545 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.97 4.7 0.41 Allowed 'General case' 0 C--O 1.234 0.268 0 C-N-CA 126.646 1.978 . . . . 0.0 114.837 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.451 ' CG ' HG22 ' B' ' 39' ' ' VAL . 15.2 mm-40 53.48 43.38 31.36 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 120.549 1.522 . . . . 0.0 108.471 -178.492 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.8 m-80 58.17 27.04 14.49 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 128.742 2.817 . . . . 0.0 114.329 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 64.1 t-20 -99.56 118.78 36.87 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 120.323 1.419 . . . . 0.0 110.449 179.219 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 16.1 t -57.57 -44.28 84.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 C-N-CA 124.862 1.265 . . . . 0.0 110.171 179.06 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -60.05 -22.92 63.29 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 124.712 1.205 . . . . 0.0 113.933 -178.215 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.676 HG11 HG11 ' B' ' 39' ' ' VAL . 59.3 t -99.41 -40.92 9.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 179.196 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.09 -34.6 57.33 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.802 0.841 . . . . 0.0 111.9 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 37.8 ttt-85 -56.21 -52.2 65.29 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.028 0.531 . . . . 0.0 110.188 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 45.5 m -64.27 -31.02 72.06 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.231 0.612 . . . . 0.0 111.865 179.281 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 74.1 mt -68.36 -48.59 72.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-N 119.442 1.019 . . . . 0.0 108.561 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.6 mt -58.46 -32.06 68.39 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.277 0.631 . . . . 0.0 110.459 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.9 mmt85 -66.0 -21.49 66.41 Favored 'General case' 0 N--CA 1.461 0.11 0 C-N-CA 123.589 0.755 . . . . 0.0 111.91 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -100.34 -39.4 8.02 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 117.434 -1.269 . . . . 0.0 110.375 179.138 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 . . . . . 0 CA--C 1.533 0.324 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.448 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 6.6 t . . . . . 0 N--CA 1.467 0.377 0 CA-C-O 119.44 -0.314 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.16 -45.29 75.71 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.408 -0.807 . . . . 0.0 111.575 -179.045 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.27 -34.93 79.51 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.762 -0.586 . . . . 0.0 110.537 178.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 52.1 mttt -64.96 -42.11 94.88 Favored 'General case' 0 C--O 1.225 -0.224 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 178.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 58.2 mt -55.51 -54.18 28.34 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 N-CA-C 107.435 -1.321 . . . . 0.0 107.435 178.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.12 -37.44 71.97 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 119.618 -0.23 . . . . 0.0 110.83 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 15.0 tptp -60.96 -56.37 21.87 Favored 'General case' 0 C--N 1.341 0.199 0 C-N-CA 123.823 0.849 . . . . 0.0 109.401 179.121 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.09 -41.87 97.45 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 117.831 -1.081 . . . . 0.0 111.167 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 92.0 mtp -55.58 -36.3 66.72 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 120.002 1.273 . . . . 0.0 110.118 179.354 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.16 -23.83 62.43 Favored Glycine 0 C--N 1.339 0.743 0 C-N-CA 124.041 0.829 . . . . 0.0 112.822 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -73.73 -6.68 48.38 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.149 1.475 . . . . 0.0 110.011 178.472 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.42 60.13 1.01 Allowed Glycine 0 C--N 1.339 0.747 0 C-N-CA 127.01 2.243 . . . . 0.0 112.109 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -138.33 152.66 48.69 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 118.063 0.932 . . . . 0.0 109.349 178.509 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.18 153.62 29.9 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 123.097 0.559 . . . . 0.0 109.595 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -54.58 -42.92 71.62 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 -178.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -64.48 -37.59 88.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 119.37 0.986 . . . . 0.0 112.212 -178.362 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -68.74 -46.77 68.01 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 179.229 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 73.9 t -59.43 -49.17 84.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 124.874 1.27 . . . . 0.0 111.668 -179.307 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -56.59 -39.74 74.07 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.15 -52.07 65.31 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 179.525 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.43 -48.97 71.05 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 124.137 0.975 . . . . 0.0 110.83 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.7 -41.31 97.41 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 119.533 1.061 . . . . 0.0 110.53 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -62.4 -58.12 8.79 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 118.982 0.81 . . . . 0.0 110.522 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 75.1 mt -57.43 -46.96 85.74 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 C-N-CA 125.106 1.363 . . . . 0.0 110.084 -179.144 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.494 ' HB2' HD12 ' B' ' 43' ' ' ILE . . . -75.64 16.7 0.35 Allowed 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 -179.542 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 50.96 42.54 28.4 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.824 1.193 . . . . 0.0 111.253 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 58.02 15.28 3.08 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 129.087 2.955 . . . . 0.0 114.33 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 57.8 t-20 -85.17 108.38 17.68 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.261 1.425 . . . . 0.0 108.061 177.517 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 37.1 t -52.43 -40.83 33.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 CA-C-N 119.968 1.258 . . . . 0.0 111.502 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -52.37 -31.12 32.22 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 125.19 1.396 . . . . 0.0 113.651 -178.012 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.676 HG11 HG11 ' A' ' 39' ' ' VAL . 64.1 t -99.7 -35.02 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 C-N-CA 123.784 0.834 . . . . 0.0 111.292 -179.184 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.81 -37.68 63.79 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 119.0 0.818 . . . . 0.0 110.215 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -55.59 -48.52 74.7 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.297 1.039 . . . . 0.0 110.702 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 13.1 m -70.56 -27.64 64.28 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.375 1.07 . . . . 0.0 112.094 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.494 HD12 ' HB2' ' B' ' 33' ' ' ALA . 81.5 mt -70.58 -47.58 63.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 178.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 17.0 mt -59.75 -29.71 68.34 Favored 'General case' 0 CA--C 1.527 0.079 0 C-N-CA 123.48 0.712 . . . . 0.0 110.832 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.06 -29.91 70.62 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 122.937 0.495 . . . . 0.0 111.775 179.101 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -91.61 -43.63 9.52 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -63.63 -52.87 58.94 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 119.243 0.929 . . . . 0.0 111.525 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 9.4 t . . . . . 0 CA--C 1.539 0.532 0 C-N-CA 123.602 0.761 . . . . 0.0 110.51 179.783 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 CA--C 1.53 0.206 0 N-CA-C 110.565 -0.161 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -53.81 -37.0 63.1 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 124.742 1.217 . . . . 0.0 113.269 -178.421 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.78 -33.54 74.27 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 122.804 0.442 . . . . 0.0 110.327 179.019 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.7 mttp -74.31 -37.13 63.71 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 123.844 0.858 . . . . 0.0 109.537 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 92.6 mt -59.64 -51.25 74.98 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 N-CA-C 106.475 -1.676 . . . . 0.0 106.475 178.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.72 -38.65 75.64 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 118.059 0.391 . . . . 0.0 110.924 179.1 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.0 tptp -61.23 -57.61 11.72 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.986 0.914 . . . . 0.0 110.684 179.54 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.71 -37.54 82.04 Favored 'General case' 0 C--N 1.339 0.147 0 CA-C-N 118.973 0.806 . . . . 0.0 110.79 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 52.2 mmm -57.94 -28.21 64.1 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 118.309 0.504 . . . . 0.0 110.842 178.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.58 -17.25 79.02 Favored Glycine 0 CA--C 1.529 0.965 0 C-N-CA 124.121 0.867 . . . . 0.0 112.899 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -78.26 -26.0 47.04 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 118.849 1.324 . . . . 0.0 110.651 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 119.86 50.65 0.29 Allowed Glycine 0 C--N 1.336 0.583 0 C-N-CA 123.916 0.769 . . . . 0.0 113.814 179.026 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -132.39 155.23 48.83 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 123.907 0.883 . . . . 0.0 109.85 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.57 154.82 30.03 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 121.543 0.687 . . . . 0.0 111.232 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -54.84 -40.83 70.02 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 124.971 1.308 . . . . 0.0 114.126 -177.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -62.04 -55.2 31.59 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 121.458 0.647 . . . . 0.0 109.335 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -56.25 -45.22 80.14 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 126.816 2.046 . . . . 0.0 111.487 -179.252 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.5 t -65.26 -57.05 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 C-N-CA 124.151 0.98 . . . . 0.0 110.877 -179.492 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -55.69 -38.19 69.33 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -62.48 -51.74 66.27 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.67 -38.12 77.48 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -64.38 -43.57 94.05 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 117.492 -1.242 . . . . 0.0 110.132 179.356 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.93 -43.54 98.62 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 119.762 1.165 . . . . 0.0 110.572 179.645 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 86.0 mt -63.14 -49.58 82.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.68 8.47 0.86 Allowed 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 54.6 47.05 23.51 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.686 1.13 . . . . 0.0 108.566 -177.721 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 47.78 59.29 4.28 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 128.846 2.858 . . . . 0.0 113.197 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -128.52 130.02 46.86 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 125.627 1.571 . . . . 0.0 107.186 179.097 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.8 t -66.95 -54.17 27.3 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 C-N-CA 124.085 0.954 . . . . 0.0 113.06 -178.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -53.39 -48.57 68.53 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 122.383 1.087 . . . . 0.0 110.866 -178.649 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.578 HG11 HG11 ' B' ' 39' ' ' VAL . 25.1 t -68.57 -43.63 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.815 0 C-N-CA 123.97 0.908 . . . . 0.0 108.988 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.1 -35.67 77.64 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 119.99 1.268 . . . . 0.0 111.404 179.047 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 56.1 mtt85 -60.07 -45.78 91.73 Favored 'General case' 0 C--O 1.219 -0.547 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 178.504 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.6 m -52.72 -36.05 56.89 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.595 0.758 . . . . 0.0 112.391 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 97.2 mt -70.68 -55.77 13.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 C-N-CA 124.33 1.052 . . . . 0.0 108.776 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 24.7 mt -60.56 -31.4 70.52 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.168 0.587 . . . . 0.0 111.234 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.4 mtp85 -63.78 -29.35 70.57 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 125.37 1.468 . . . . 0.0 110.072 178.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -91.98 -44.73 8.71 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.56 1.144 . . . . 0.0 110.946 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 . . . . . 0 C--N 1.34 0.176 0 CA-C-N 118.831 0.741 . . . . 0.0 110.547 -179.535 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.459 0.171 . . . . 0.0 110.749 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.27 -45.07 92.23 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 126.785 2.034 . . . . 0.0 110.92 -178.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.21 -39.78 79.92 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.553 0.741 . . . . 0.0 111.108 178.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 15.7 mttp -66.49 -45.96 77.87 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 119.164 -0.446 . . . . 0.0 109.978 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 89.8 mt -59.78 -47.12 92.52 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 N-CA-C 106.421 -1.696 . . . . 0.0 106.421 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.03 -19.55 65.28 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.226 -0.921 . . . . 0.0 113.077 179.167 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 29.5 tttp -78.18 -58.96 2.98 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 120.495 1.498 . . . . 0.0 109.87 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.425 ' HB2' HG13 ' B' ' 26' ' ' VAL . 3.7 mm? -58.16 -33.17 68.92 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 119.571 1.078 . . . . 0.0 110.71 -179.441 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 54.9 mmm -59.73 -20.73 58.36 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.859 0.864 . . . . 0.0 111.805 178.445 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -81.97 -29.03 39.48 Favored Glycine 0 C--N 1.334 0.443 0 N-CA-C 110.452 -1.059 . . . . 0.0 110.452 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -63.92 -35.12 79.63 Favored 'General case' 0 C--N 1.34 0.155 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 179.303 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 143.2 -21.44 2.27 Favored Glycine 0 CA--C 1.527 0.784 0 C-N-CA 124.249 0.928 . . . . 0.0 114.909 178.476 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -61.22 150.55 34.22 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.501 1.15 . . . . 0.0 113.962 -177.339 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.24 151.41 39.92 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 126.171 1.789 . . . . 0.0 112.194 -178.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -57.26 -41.92 80.6 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 123.605 0.762 . . . . 0.0 112.47 -179.197 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -67.26 -22.09 65.69 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -178.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -91.87 -43.95 9.21 Favored 'General case' 0 C--O 1.224 -0.247 0 C-N-CA 124.799 1.24 . . . . 0.0 108.908 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.425 HG13 ' HB2' ' B' ' 16' ' ' LEU . 77.4 t -62.5 -54.32 35.55 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 C-N-CA 124.046 0.938 . . . . 0.0 109.972 -179.331 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -55.86 -37.9 69.4 Favored 'General case' 0 CA--C 1.521 -0.14 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -65.48 -54.35 29.61 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.88 -40.41 76.15 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 124.095 0.958 . . . . 0.0 112.192 -179.417 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.59 -43.51 96.74 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 120.082 1.31 . . . . 0.0 110.56 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -61.88 -46.13 90.75 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-N 120.366 1.439 . . . . 0.0 110.213 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 71.5 mt -63.34 -32.21 55.66 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -87.45 9.56 20.39 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.966 2.106 . . . . 0.0 112.694 179.035 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 51.89 47.64 24.37 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.044 1.337 . . . . 0.0 110.158 -178.033 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 64.1 m-20 52.98 52.68 13.36 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 129.278 3.031 . . . . 0.0 112.06 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -129.46 114.6 16.34 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.92 0.888 . . . . 0.0 110.005 178.353 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.2 t -54.49 -44.33 67.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 125.985 1.714 . . . . 0.0 111.374 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -56.07 -38.29 70.45 Favored 'General case' 0 N--CA 1.458 -0.06 0 C-N-CA 123.424 0.69 . . . . 0.0 112.515 -178.429 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.578 HG11 HG11 ' A' ' 39' ' ' VAL . 57.4 t -87.63 -37.91 11.36 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 C-N-CA 123.145 0.578 . . . . 0.0 110.522 -179.715 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.89 -33.92 52.46 Favored 'General case' 0 C--N 1.344 0.352 0 CA-C-N 118.286 0.494 . . . . 0.0 111.248 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 30.5 mtt85 -55.99 -49.76 72.73 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 122.993 0.517 . . . . 0.0 111.699 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.5 m -63.54 -29.35 70.62 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 124.203 1.001 . . . . 0.0 112.24 -178.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 71.6 mt -74.88 -49.22 29.95 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 178.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 63.0 mt -58.64 -33.35 69.96 Favored 'General case' 0 C--N 1.339 0.14 0 C-N-CA 123.931 0.893 . . . . 0.0 109.77 179.473 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -64.42 -20.21 66.01 Favored 'General case' 0 N--CA 1.462 0.139 0 C-N-CA 124.62 1.168 . . . . 0.0 111.852 178.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -88.25 -57.88 2.76 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 106.74 -1.578 . . . . 0.0 106.74 177.427 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -62.86 -28.5 70.07 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 -177.682 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 42.6 t . . . . . 0 C--O 1.234 0.284 0 CA-C-N 119.94 1.245 . . . . 0.0 111.697 179.485 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.0 t . . . . . 0 CA--C 1.533 0.298 0 N-CA-C 108.463 -0.939 . . . . 0.0 108.463 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.61 -53.25 58.83 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.027 0.931 . . . . 0.0 110.326 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.59 -10.42 12.13 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 179.292 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.9 mttt -93.98 -34.67 12.96 Favored 'General case' 0 C--O 1.227 -0.129 0 O-C-N 120.975 -1.078 . . . . 0.0 108.576 178.698 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 94.4 mt -63.31 -58.79 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.19 -33.9 63.42 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 122.073 -0.392 . . . . 0.0 111.462 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.6 tttp -61.12 -56.48 20.37 Favored 'General case' 0 C--N 1.34 0.16 0 C-N-CA 123.112 0.565 . . . . 0.0 110.595 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.61 -35.48 81.15 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 118.083 -0.96 . . . . 0.0 110.984 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 87.8 mtp -56.95 -35.12 68.74 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 177.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.17 -22.33 62.8 Favored Glycine 0 C--N 1.342 0.909 0 C-N-CA 125.679 1.609 . . . . 0.0 113.301 178.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -71.22 -19.92 62.32 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 119.266 1.533 . . . . 0.0 107.304 177.559 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.04 60.24 0.53 Allowed Glycine 0 C--N 1.34 0.787 0 C-N-CA 127.933 2.682 . . . . 0.0 112.639 179.119 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -138.75 158.97 43.25 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 124.875 1.27 . . . . 0.0 109.699 178.693 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.84 154.67 31.6 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.738 0.815 . . . . 0.0 110.651 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -56.58 -44.39 81.01 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 124.034 0.934 . . . . 0.0 113.298 -179.348 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -60.53 -39.96 89.77 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 123.773 0.829 . . . . 0.0 111.327 -178.132 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -69.58 -49.1 57.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 122.131 0.967 . . . . 0.0 108.982 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 83.1 t -59.87 -46.99 93.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 C-N-CA 123.856 0.862 . . . . 0.0 111.593 -178.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.1 ttpt -57.95 -36.5 72.63 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 119.134 -0.46 . . . . 0.0 109.931 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.3 tpt180 -70.09 -50.09 44.3 Favored 'General case' 0 C--N 1.339 0.146 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 179.162 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.27 -45.02 76.14 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 123.89 0.876 . . . . 0.0 111.573 -179.256 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.13 -31.82 73.2 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 117.364 -1.303 . . . . 0.0 111.176 179.618 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -66.23 -50.72 62.83 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 120.799 1.636 . . . . 0.0 108.614 179.48 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 76.4 mt -57.99 -49.69 80.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 C-N-CA 125.049 1.34 . . . . 0.0 108.426 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.405 ' HB2' HD12 ' A' ' 43' ' ' ILE . . . -65.3 12.43 0.05 OUTLIER 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 127.173 2.189 . . . . 0.0 115.556 -179.502 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 53.09 39.64 29.89 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 121.077 1.762 . . . . 0.0 108.648 -177.596 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 52.32 40.57 29.49 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 127.984 2.514 . . . . 0.0 111.488 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 42.1 t-20 -110.38 120.97 44.15 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 124.286 1.035 . . . . 0.0 110.224 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.8 t -58.5 -48.28 85.85 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 125.353 1.461 . . . . 0.0 110.878 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -48.2 -53.7 16.05 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 126.12 1.768 . . . . 0.0 111.5 -178.611 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.535 HG11 HG11 ' B' ' 39' ' ' VAL . 23.4 t -72.65 -44.9 59.44 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 C-N-CA 125.948 1.699 . . . . 0.0 111.477 -178.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.79 -32.7 60.52 Favored 'General case' 0 C--N 1.34 0.188 0 O-C-N 121.593 -0.692 . . . . 0.0 111.862 -179.304 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -55.72 -49.66 72.44 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.659 0.783 . . . . 0.0 110.083 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.2 m -71.05 -34.37 71.17 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 118.372 -0.823 . . . . 0.0 111.278 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.405 HD12 ' HB2' ' A' ' 33' ' ' ALA . 54.2 mt -59.61 -53.74 44.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-N 119.327 0.967 . . . . 0.0 108.459 179.163 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.3 mt -60.96 -29.96 69.96 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 122.791 0.436 . . . . 0.0 111.503 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -30.74 71.77 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 122.592 0.357 . . . . 0.0 111.012 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -91.63 -38.36 12.5 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 118.761 -0.638 . . . . 0.0 109.563 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 . . . . . 0 C--N 1.342 0.257 0 CA-C-N 119.12 0.873 . . . . 0.0 109.437 179.123 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 44.9 t . . . . . 0 CA--C 1.53 0.19 0 CA-C-O 119.511 -0.281 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -58.32 -42.43 86.73 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 118.722 0.692 . . . . 0.0 110.175 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.26 -37.42 85.42 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 122.072 -0.392 . . . . 0.0 110.538 178.611 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -62.6 -37.31 85.74 Favored 'General case' 0 C--N 1.341 0.202 0 C-N-CA 123.475 0.71 . . . . 0.0 110.111 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 65.3 mt -60.92 -59.87 3.57 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 N-CA-C 106.657 -1.609 . . . . 0.0 106.657 179.003 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.88 -38.13 64.44 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 50.1 tttp -54.27 -56.76 15.25 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 123.927 0.891 . . . . 0.0 108.758 179.014 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -67.5 -36.99 82.16 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-O 118.514 -0.755 . . . . 0.0 112.161 179.099 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 96.4 mtp -58.4 -36.93 74.32 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 119.624 1.102 . . . . 0.0 109.672 179.326 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.48 -23.38 60.34 Favored Glycine 0 CA--C 1.529 0.912 0 CA-C-O 118.849 -0.973 . . . . 0.0 111.892 179.076 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -63.43 -33.03 74.65 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 119.68 1.74 . . . . 0.0 107.911 178.573 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 130.79 1.74 4.96 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 126.393 1.949 . . . . 0.0 114.01 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -79.12 155.69 28.61 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 118.961 1.38 . . . . 0.0 111.654 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.12 158.14 32.08 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.72 0.808 . . . . 0.0 109.67 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -55.74 -44.57 77.7 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 -178.462 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -64.79 -32.49 74.2 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -177.464 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -67.4 -49.76 62.45 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 123.904 0.881 . . . . 0.0 109.995 -179.439 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 57.6 t -63.12 -50.38 79.54 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 C-N-CA 125.411 1.484 . . . . 0.0 113.647 -178.26 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -57.66 -38.28 74.81 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 119.488 -0.885 . . . . 0.0 110.014 -179.242 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -71.51 -39.16 70.98 Favored 'General case' 0 CA--C 1.528 0.097 0 O-C-N 124.379 1.049 . . . . 0.0 109.661 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.47 -47.79 84.06 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 118.482 0.583 . . . . 0.0 110.072 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.02 -31.37 72.22 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-O 118.042 -0.98 . . . . 0.0 109.943 179.233 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -64.62 -57.03 10.21 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 119.95 1.25 . . . . 0.0 108.62 178.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 84.6 mt -58.67 -45.33 90.88 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 124.018 0.927 . . . . 0.0 109.869 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.08 3.59 2.01 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.929 1.692 . . . . 0.0 114.695 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 56.54 48.03 17.45 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 123.068 1.413 . . . . 0.0 109.451 -178.221 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 61.08 17.27 7.87 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 129.091 2.956 . . . . 0.0 113.394 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 60.7 t-20 -88.0 119.62 28.55 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 120.042 1.292 . . . . 0.0 110.759 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 3.0 t -60.33 -41.21 86.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 C-N-CA 125.391 1.476 . . . . 0.0 112.111 179.618 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -70.43 -42.92 70.92 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 123.734 0.814 . . . . 0.0 112.115 -176.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.535 HG11 HG11 ' A' ' 39' ' ' VAL . 73.4 t -68.8 -40.52 81.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 177.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.86 -37.41 71.26 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 118.448 0.567 . . . . 0.0 109.493 178.67 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.36 -44.73 76.28 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.034 0.834 . . . . 0.0 109.663 178.54 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 9.4 m -73.51 -33.15 64.63 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.455 1.102 . . . . 0.0 112.02 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 62.6 mt -66.92 -49.76 70.97 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 179.177 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 11.9 mt -57.63 -31.82 66.63 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 123.644 0.777 . . . . 0.0 110.491 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.4 -17.73 63.69 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 124.625 1.17 . . . . 0.0 113.204 178.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -98.95 -45.76 5.85 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 119.693 1.133 . . . . 0.0 111.654 179.477 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -63.71 -53.26 54.01 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 118.96 0.8 . . . . 0.0 109.266 179.313 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 24.7 t . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.77 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.3 p . . . . . 0 CA--C 1.543 0.71 0 N-CA-C 105.677 -1.972 . . . . 0.0 105.677 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.38 -50.43 40.21 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 129.87 3.268 . . . . 0.0 110.11 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.96 -20.44 57.62 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 125.484 1.514 . . . . 0.0 112.988 -179.577 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.3 mttp -93.59 -38.96 11.09 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 124.684 1.194 . . . . 0.0 108.117 178.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 73.5 mt -59.19 -54.47 33.84 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 179.102 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.44 -34.08 64.16 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.538 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.1 tptt -65.53 -56.31 13.02 Favored 'General case' 0 C--N 1.339 0.144 0 C-N-CA 124.438 1.095 . . . . 0.0 108.993 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.66 -38.52 90.64 Favored 'General case' 0 C--N 1.34 0.183 0 CA-C-O 118.267 -0.873 . . . . 0.0 112.234 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 86.7 mtp -57.06 -29.15 63.19 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.676 1.125 . . . . 0.0 110.194 179.48 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.01 -8.77 69.94 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 121.06 -1.025 . . . . 0.0 113.2 179.304 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -90.37 -8.21 51.28 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 119.57 1.685 . . . . 0.0 112.7 -179.401 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.61 48.66 0.84 Allowed Glycine 0 C--N 1.338 0.671 0 C-N-CA 124.4 1.0 . . . . 0.0 112.387 179.636 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -139.9 149.27 43.16 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 123.934 0.894 . . . . 0.0 109.804 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.09 159.66 26.03 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 123.5 0.72 . . . . 0.0 111.675 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -56.62 -45.11 81.67 Favored 'General case' 0 CA--C 1.53 0.188 0 O-C-N 121.903 -0.498 . . . . 0.0 111.333 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -62.45 -30.58 71.34 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.113 0.565 . . . . 0.0 112.325 -178.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -79.17 -49.67 12.19 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 124.652 1.181 . . . . 0.0 109.201 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 91.6 t -62.55 -50.24 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 C-N-CA 124.237 1.015 . . . . 0.0 110.73 -179.197 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -57.52 -38.05 74.04 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.4 tpt180 -65.3 -48.87 71.61 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.07 -48.62 80.92 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 122.935 0.494 . . . . 0.0 110.605 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -56.17 -46.86 79.16 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 117.58 -1.2 . . . . 0.0 110.584 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -55.67 -56.99 13.93 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.213 1.005 . . . . 0.0 109.396 179.22 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 94.4 mt -55.74 -46.64 79.76 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 124.344 1.057 . . . . 0.0 109.439 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.45 3.27 2.42 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.845 2.058 . . . . 0.0 114.361 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 53.94 47.09 24.25 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 122.684 1.23 . . . . 0.0 108.576 -177.52 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 47.23 62.12 2.56 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 129.821 3.248 . . . . 0.0 113.428 179.495 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 57.7 t-20 -133.06 120.63 21.56 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.178 0.991 . . . . 0.0 109.927 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.5 t -61.21 -42.69 94.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 125.213 1.405 . . . . 0.0 112.214 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -65.85 -19.72 65.98 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 124.301 1.04 . . . . 0.0 112.688 -177.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.675 HG11 HG11 ' B' ' 39' ' ' VAL . 45.6 t -99.86 -43.83 11.29 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 C-N-CA 125.118 1.367 . . . . 0.0 109.771 179.324 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.37 -31.33 69.12 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -54.51 -52.61 61.42 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.234 0.925 . . . . 0.0 111.129 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.2 m -61.44 -34.5 75.52 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 118.321 -0.847 . . . . 0.0 112.087 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 61.6 mt -62.31 -51.83 67.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-N 119.74 1.155 . . . . 0.0 108.445 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 21.4 mt -61.98 -32.83 73.32 Favored 'General case' 0 C--O 1.225 -0.221 0 C-N-CA 123.042 0.537 . . . . 0.0 110.78 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.7 mmt85 -65.6 -40.27 92.46 Favored 'General case' 0 C--O 1.226 -0.169 0 CA-C-N 118.506 0.594 . . . . 0.0 110.209 178.728 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -69.04 -51.66 36.69 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.285 0.493 . . . . 0.0 109.989 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 . . . . . 0 N--CA 1.465 0.325 0 CA-C-N 118.478 0.581 . . . . 0.0 111.711 -179.493 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 4.5 p . . . . . 0 CA--C 1.538 0.511 0 CA-C-O 122.09 0.948 . . . . 0.0 108.457 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -54.32 -45.61 72.67 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 128.865 2.866 . . . . 0.0 110.76 -179.154 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.1 -36.61 68.35 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 125.128 1.371 . . . . 0.0 111.666 179.509 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 49.4 mttp -73.31 -42.61 62.17 Favored 'General case' 0 CA--C 1.518 -0.277 0 C-N-CA 124.47 1.108 . . . . 0.0 109.69 -179.351 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 87.2 mt -58.28 -52.98 52.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 179.141 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.21 -27.74 67.43 Favored 'General case' 0 CA--C 1.532 0.272 0 O-C-N 121.511 -0.743 . . . . 0.0 112.529 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 4.4 tptt -65.14 -66.33 0.56 Allowed 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 118.6 0.636 . . . . 0.0 110.048 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -60.63 -34.68 74.62 Favored 'General case' 0 C--O 1.224 -0.239 0 CA-C-O 118.114 -0.946 . . . . 0.0 111.466 -179.128 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 84.8 mtp -57.68 -28.21 63.58 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 119.856 1.207 . . . . 0.0 110.906 179.021 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -77.83 -20.17 74.07 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 121.249 -0.907 . . . . 0.0 112.637 179.227 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -78.9 -0.46 30.9 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.503 1.521 . . . . 0.0 112.542 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.28 46.16 2.06 Favored Glycine 0 C--N 1.338 0.656 0 CA-C-O 118.621 -1.099 . . . . 0.0 113.73 179.117 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -140.31 149.13 42.39 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 117.974 0.887 . . . . 0.0 109.71 178.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.82 162.03 26.37 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 123.66 0.784 . . . . 0.0 111.694 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -54.82 -46.26 74.55 Favored 'General case' 0 N--CA 1.461 0.108 0 C-N-CA 124.095 0.958 . . . . 0.0 112.199 -179.448 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -57.01 -51.42 69.34 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 122.987 0.515 . . . . 0.0 111.163 -179.055 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -56.92 -50.78 71.52 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 125.663 1.585 . . . . 0.0 110.788 -179.09 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 72.8 t -62.08 -56.76 15.58 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 C-N-CA 124.334 1.054 . . . . 0.0 110.903 -178.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 23.2 ttpt -57.22 -36.19 70.58 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 118.152 0.433 . . . . 0.0 110.238 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -64.03 -51.18 65.41 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.28 -44.05 95.68 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 123.439 0.696 . . . . 0.0 112.27 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -65.82 -34.72 78.8 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 119.792 1.178 . . . . 0.0 111.032 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -62.0 -44.08 97.49 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 119.54 1.064 . . . . 0.0 108.963 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 79.4 mt -67.74 -48.54 75.53 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 C-N-CA 125.347 1.459 . . . . 0.0 108.455 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.86 14.76 0.1 Allowed 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 129.107 2.963 . . . . 0.0 115.842 -179.352 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' GLN . . . . . 0.457 ' HG3' HG22 ' A' ' 39' ' ' VAL . 5.6 mm100 53.0 37.48 24.78 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 120.629 1.559 . . . . 0.0 111.257 -178.575 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 54.95 54.28 9.22 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 126.469 1.908 . . . . 0.0 110.464 -179.572 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 42.1 t-20 -130.8 115.78 17.07 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 124.354 1.062 . . . . 0.0 109.557 179.345 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 48.7 t -57.25 -41.64 78.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 C-N-CA 125.588 1.555 . . . . 0.0 110.884 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -57.29 -28.56 63.13 Favored 'General case' 0 C--N 1.334 -0.09 0 C-N-CA 125.293 1.437 . . . . 0.0 112.45 -178.444 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.675 HG11 HG11 ' A' ' 39' ' ' VAL . 97.6 t -99.4 -43.81 11.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 C-N-CA 123.728 0.811 . . . . 0.0 110.68 -178.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.57 -32.48 51.01 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 118.602 0.637 . . . . 0.0 110.81 179.488 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -56.05 -41.91 75.76 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.186 1.395 . . . . 0.0 110.667 178.651 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 8.4 m -77.58 -33.14 54.01 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.974 0.91 . . . . 0.0 110.927 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 67.3 mt -65.6 -49.07 80.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 31.9 mt -59.15 -31.27 68.82 Favored 'General case' 0 C--O 1.224 -0.275 0 C-N-CA 123.332 0.653 . . . . 0.0 110.462 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.8 -25.33 66.41 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 118.42 0.555 . . . . 0.0 111.745 179.001 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -80.6 -57.79 3.41 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.219 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -63.06 -49.39 74.7 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 123.928 0.891 . . . . 0.0 112.554 -178.686 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 N--CA 1.449 -0.52 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 179.338 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.7 t . . . . . 0 CA--C 1.529 0.154 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.83 -34.65 71.78 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 120.977 -1.077 . . . . 0.0 111.221 -179.728 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.8 -16.69 59.21 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.822 0.849 . . . . 0.0 112.017 179.09 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 45.1 mttp -93.78 -34.78 13.06 Favored 'General case' 0 CA--C 1.517 -0.294 0 C-N-CA 124.864 1.266 . . . . 0.0 109.966 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.5 mt -58.8 -56.07 19.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.13 0 N-CA-C 107.019 -1.474 . . . . 0.0 107.019 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.91 -27.02 64.86 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 118.01 0.368 . . . . 0.0 111.93 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.0 tptt -67.03 -62.2 1.55 Allowed 'General case' 0 C--N 1.34 0.164 0 C-N-CA 124.028 0.931 . . . . 0.0 109.318 179.206 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.56 -35.44 76.06 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 118.411 0.55 . . . . 0.0 109.946 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 71.1 mmm -60.69 -24.94 66.01 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.508 -0.745 . . . . 0.0 110.191 178.256 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.8 -12.61 84.38 Favored Glycine 0 CA--C 1.525 0.694 0 C-N-CA 125.268 1.414 . . . . 0.0 111.855 179.111 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -80.42 -51.69 8.53 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 106.109 -1.811 . . . . 0.0 106.109 178.338 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 134.12 64.9 0.07 OUTLIER Glycine 0 C--N 1.336 0.546 0 C-N-CA 124.316 0.96 . . . . 0.0 111.489 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -135.51 152.05 50.95 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 125.828 1.651 . . . . 0.0 107.389 178.393 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.47 149.83 36.74 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 119.017 0.826 . . . . 0.0 109.523 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -49.85 -42.18 46.89 Favored 'General case' 0 CA--C 1.518 -0.259 0 C-N-CA 126.219 1.807 . . . . 0.0 113.8 -178.25 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -64.83 -41.45 95.73 Favored 'General case' 0 N--CA 1.449 -0.506 0 O-C-N 123.183 0.302 . . . . 0.0 111.21 -178.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -66.31 -46.77 75.8 Favored 'General case' 0 CA--C 1.517 -0.29 0 C-N-CA 126.187 1.795 . . . . 0.0 108.424 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.1 t -58.74 -57.06 12.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 123.921 0.889 . . . . 0.0 110.021 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.6 mtpt -58.21 -35.42 71.63 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 118.883 -0.579 . . . . 0.0 111.111 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -68.04 -53.22 27.38 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 -179.324 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.63 -44.12 76.83 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 123.899 0.879 . . . . 0.0 110.498 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.46 -39.97 92.81 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 116.774 -1.584 . . . . 0.0 110.163 179.216 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -64.58 -52.25 58.58 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 120.869 1.668 . . . . 0.0 109.544 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 94.5 mt -53.74 -46.38 62.34 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 124.26 1.024 . . . . 0.0 108.33 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.97 9.55 0.53 Allowed 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 126.765 2.026 . . . . 0.0 114.34 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 56.28 31.76 19.12 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 120.605 1.548 . . . . 0.0 110.605 -178.583 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 12.5 m120 65.18 28.62 12.1 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 130.126 3.37 . . . . 0.0 112.105 -178.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 56.2 t-20 -98.27 121.81 40.66 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 120.64 -1.287 . . . . 0.0 109.582 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 24.9 t -61.4 -46.09 97.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 CA-C-N 119.014 0.824 . . . . 0.0 110.525 179.437 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -59.93 -30.8 69.3 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 113.113 0.783 . . . . 0.0 113.113 -178.105 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.901 HG11 HG11 ' B' ' 39' ' ' VAL . 25.8 t -87.7 -39.18 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.67 -31.53 70.77 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 123.613 0.765 . . . . 0.0 110.93 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 48.3 mtt180 -54.79 -54.65 39.36 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 124.002 0.921 . . . . 0.0 108.624 178.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.5 m -58.14 -40.92 82.53 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.629 0.772 . . . . 0.0 112.25 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 72.8 mt -61.4 -49.5 84.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 C-N-CA 123.516 0.726 . . . . 0.0 109.52 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 24.4 mt -61.42 -29.28 69.84 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 117.764 -1.112 . . . . 0.0 111.163 -179.258 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 67.4 mtt180 -67.35 -32.54 73.56 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 120.112 1.324 . . . . 0.0 110.589 178.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -75.22 -44.49 45.98 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 119.267 -0.397 . . . . 0.0 110.396 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 . . . . . 0 N--CA 1.463 0.215 0 CA-C-N 118.467 0.576 . . . . 0.0 111.417 -179.787 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 19.5 t . . . . . 0 N--CA 1.463 0.198 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.93 -46.64 89.89 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 121.344 -0.847 . . . . 0.0 109.924 -179.39 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.47 -14.19 55.76 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.826 -0.546 . . . . 0.0 111.682 178.24 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 54.2 mttp -87.75 -46.48 9.44 Favored 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 106.703 -1.591 . . . . 0.0 106.703 178.111 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 67.8 mt -57.48 -52.41 57.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 N-CA-C 106.595 -1.632 . . . . 0.0 106.595 178.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.45 -12.77 16.04 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 25.6 tptt -79.73 -62.72 1.6 Allowed 'General case' 0 C--O 1.233 0.196 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 178.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -58.39 -33.56 69.76 Favored 'General case' 0 C--O 1.224 -0.268 0 C-N-CA 123.715 0.806 . . . . 0.0 110.446 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 63.0 mmm -56.2 -23.26 34.36 Favored 'General case' 0 CA--C 1.535 0.365 0 CA-C-N 118.568 0.622 . . . . 0.0 111.94 178.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -84.12 -20.76 58.53 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 121.005 -1.059 . . . . 0.0 112.253 178.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -78.89 -2.74 41.3 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 125.524 1.53 . . . . 0.0 113.962 -178.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.5 42.31 3.2 Favored Glycine 0 CA--C 1.53 0.987 0 CA-C-O 119.28 -0.733 . . . . 0.0 113.232 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -126.99 153.93 45.26 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 118.202 1.001 . . . . 0.0 109.516 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.34 148.82 30.5 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.032 0.933 . . . . 0.0 111.946 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -54.27 -42.44 69.99 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 123.729 0.811 . . . . 0.0 111.261 -179.337 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -55.75 -56.57 18.89 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.33 1.052 . . . . 0.0 109.28 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -59.56 -47.1 86.85 Favored 'General case' 0 CA--C 1.517 -0.301 0 C-N-CA 126.317 1.847 . . . . 0.0 111.159 -179.373 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 69.9 t -59.99 -53.39 49.27 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 C-N-CA 123.293 0.637 . . . . 0.0 110.024 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 4.4 mtpt -58.51 -39.09 79.12 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 179.603 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -63.12 -54.54 36.15 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.508 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.81 -45.34 70.76 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 125.646 1.578 . . . . 0.0 111.391 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.0 -41.57 96.77 Favored 'General case' 0 C--N 1.34 0.172 0 CA-C-N 120.016 1.28 . . . . 0.0 111.502 -179.569 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -60.49 -45.53 93.42 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 119.151 0.887 . . . . 0.0 111.124 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 54.5 mt -65.16 -49.31 79.87 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 C-N-CA 126.055 1.742 . . . . 0.0 107.891 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.456 ' HA ' HG13 ' A' ' 39' ' ' VAL . . . -66.17 13.18 0.05 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 129.244 3.018 . . . . 0.0 115.162 -179.533 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 34' ' ' GLN . . . . . 0.423 ' HG3' HG22 ' A' ' 39' ' ' VAL . 2.7 mm100 55.65 33.14 20.66 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 120.653 1.569 . . . . 0.0 110.114 -178.272 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 59.16 48.68 10.16 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 128.166 2.587 . . . . 0.0 109.798 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 -126.21 118.87 26.07 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 124.57 1.148 . . . . 0.0 111.377 -179.38 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.47 -41.78 88.84 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.143 0 C-N-CA 124.607 1.163 . . . . 0.0 110.087 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -58.98 -24.5 62.73 Favored 'General case' 0 C--O 1.231 0.105 0 C-N-CA 123.522 0.729 . . . . 0.0 112.774 -178.174 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.901 HG11 HG11 ' A' ' 39' ' ' VAL . 25.9 t -99.85 -39.83 7.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.251 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.411 ' HA ' HD12 ' B' ' 43' ' ' ILE . . . -54.53 -33.03 59.29 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.163 0.585 . . . . 0.0 111.051 179.457 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 52.4 mtt180 -56.01 -51.95 65.95 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 178.443 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.6 m -59.55 -35.77 74.86 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.702 1.201 . . . . 0.0 113.708 -179.604 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.411 HD12 ' HA ' ' B' ' 40' ' ' ALA . 75.3 mt -65.68 -55.68 18.6 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 C-N-CA 124.641 1.176 . . . . 0.0 108.749 -179.551 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 42.6 mt -57.41 -30.25 64.8 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 124.38 1.072 . . . . 0.0 112.261 -178.73 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -64.72 -32.76 74.58 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 119.054 0.843 . . . . 0.0 110.943 178.744 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -83.08 -48.99 10.0 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-O 118.992 -0.528 . . . . 0.0 110.648 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -63.95 -51.91 62.2 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 118.417 0.553 . . . . 0.0 111.685 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.537 0.463 0 C-N-CA 124.548 1.139 . . . . 0.0 108.545 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 64.5 t . . . . . 0 N--CA 1.463 0.194 0 CA-C-O 119.034 -0.508 . . . . 0.0 110.563 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -60.74 -37.76 82.85 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 119.996 1.271 . . . . 0.0 111.785 -179.103 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.89 -12.51 25.56 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.475 0.71 . . . . 0.0 112.235 178.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.4 mttt -95.19 -44.72 7.5 Favored 'General case' 0 C--O 1.222 -0.342 0 C-N-CA 126.357 1.863 . . . . 0.0 107.668 178.27 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.8 mt -58.18 -54.15 36.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 178.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.75 -27.91 63.46 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 122.472 0.309 . . . . 0.0 111.585 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.7 tptp -67.38 -63.63 1.02 Allowed 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.359 1.064 . . . . 0.0 108.654 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.99 -36.99 78.38 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-O 118.28 -0.866 . . . . 0.0 110.808 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 78.4 mtp -58.4 -27.19 64.05 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 120.059 1.3 . . . . 0.0 110.406 178.557 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.93 -15.44 79.7 Favored Glycine 0 CA--C 1.526 0.77 0 O-C-N 121.222 -0.924 . . . . 0.0 111.7 178.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -82.96 -0.92 50.87 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 119.427 1.614 . . . . 0.0 112.166 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.08 60.84 0.95 Allowed Glycine 0 C--N 1.338 0.653 0 C-N-CA 125.65 1.595 . . . . 0.0 112.807 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -146.42 149.83 34.46 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 117.751 0.775 . . . . 0.0 110.482 179.364 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.35 157.09 30.84 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 123.854 0.862 . . . . 0.0 108.925 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -57.8 -41.84 82.97 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 121.493 -0.754 . . . . 0.0 113.018 -178.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -58.92 -45.81 89.45 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 119.044 0.838 . . . . 0.0 111.944 -178.614 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -64.88 -49.28 71.1 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 125.344 1.458 . . . . 0.0 109.94 -179.235 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.8 t -59.32 -47.65 89.76 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.226 0 C-N-CA 123.98 0.912 . . . . 0.0 110.426 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.2 tttt -60.24 -39.3 86.23 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 118.741 -0.647 . . . . 0.0 109.908 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -61.8 -54.06 47.39 Favored 'General case' 0 C--N 1.342 0.274 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 -179.415 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.83 -46.75 84.28 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 123.335 0.654 . . . . 0.0 112.201 -179.563 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -60.99 -45.83 93.2 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.967 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -56.61 -51.98 66.61 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.796 0.838 . . . . 0.0 109.872 179.664 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 69.6 mt -57.67 -45.89 86.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.412 ' HA ' HG13 ' B' ' 39' ' ' VAL . . . -72.32 10.65 0.74 Allowed 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 55.19 37.56 29.08 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 121.903 2.138 . . . . 0.0 108.498 -177.68 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 54.33 48.78 19.96 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 127.711 2.404 . . . . 0.0 110.322 -178.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -115.7 103.91 11.16 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 124.484 1.113 . . . . 0.0 109.894 -179.457 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 24.9 t -48.28 -48.02 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 125.801 1.64 . . . . 0.0 112.157 -179.439 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -56.35 -28.44 59.07 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.409 1.084 . . . . 0.0 113.281 -179.009 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.683 HG11 HG11 ' B' ' 39' ' ' VAL . 94.9 t -99.36 -38.53 6.94 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-N 118.628 0.649 . . . . 0.0 110.024 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.62 -35.29 65.71 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 123.533 0.733 . . . . 0.0 110.888 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -59.66 -48.39 81.85 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.108 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.7 m -64.06 -34.64 78.48 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 123.307 0.643 . . . . 0.0 110.958 179.491 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 88.9 mt -64.71 -53.81 37.63 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 179.01 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 29.7 mt -58.82 -29.69 67.08 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 123.186 0.594 . . . . 0.0 110.196 179.121 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -65.19 -40.46 94.27 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 117.747 -1.12 . . . . 0.0 110.831 178.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -70.22 -46.47 64.44 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 119.609 1.095 . . . . 0.0 109.924 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 . . . . . 0 CA--C 1.538 0.508 0 C-N-CA 122.431 0.293 . . . . 0.0 110.4 -179.851 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 42.1 t . . . . . 0 CA--C 1.527 0.088 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -53.3 -39.71 64.21 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 119.274 0.943 . . . . 0.0 112.085 -178.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.09 -34.2 77.5 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.434 0.694 . . . . 0.0 111.408 178.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 51.7 mttp -69.99 -40.67 75.16 Favored 'General case' 0 CA--C 1.521 -0.141 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.4 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 69.4 mt -60.04 -49.31 84.52 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.128 0 N-CA-C 106.492 -1.67 . . . . 0.0 106.492 178.5 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.74 -41.93 78.36 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 118.085 0.402 . . . . 0.0 110.481 179.008 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 9.8 tptp -55.9 -51.27 68.19 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 123.217 0.607 . . . . 0.0 110.341 179.685 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -69.58 -45.75 67.94 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 117.92 -1.038 . . . . 0.0 111.325 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 87.4 mtp -53.4 -38.6 63.58 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 119.758 1.163 . . . . 0.0 110.102 179.353 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.58 -16.89 38.87 Favored Glycine 0 CA--C 1.529 0.927 0 CA-C-O 118.157 -1.357 . . . . 0.0 113.219 179.47 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -89.74 -9.33 49.77 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 120.19 1.995 . . . . 0.0 110.166 178.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.78 66.58 0.81 Allowed Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 124.68 1.134 . . . . 0.0 113.512 178.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -143.03 152.11 41.55 Favored 'General case' 0 C--O 1.24 0.574 0 N-CA-C 107.104 -1.443 . . . . 0.0 107.104 177.517 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.6 149.31 38.3 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 123.313 0.645 . . . . 0.0 110.478 -179.584 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -54.83 -41.93 71.28 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.05 0.54 . . . . 0.0 112.113 -179.4 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -62.65 -41.0 98.79 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 118.313 0.506 . . . . 0.0 111.895 -178.546 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -67.45 -49.24 64.53 Favored 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 125.984 1.714 . . . . 0.0 109.337 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 84.8 t -59.69 -50.88 78.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 114.224 -1.353 . . . . 0.0 109.913 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 65.0 tttt -56.08 -40.46 73.66 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.2 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 25.4 tpt180 -65.97 -48.52 71.01 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.77 -48.6 77.5 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.347 1.059 . . . . 0.0 111.648 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.55 -37.51 87.8 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-O 118.421 -0.799 . . . . 0.0 110.169 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -60.26 -49.63 76.83 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 124.011 0.924 . . . . 0.0 109.573 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 64.8 mt -61.69 -49.17 85.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 179.468 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.29 4.91 1.11 Allowed 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 126.308 1.843 . . . . 0.0 114.791 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 51.59 43.08 30.0 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 120.577 1.535 . . . . 0.0 109.807 -178.188 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 57.68 52.03 8.71 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 128.966 2.906 . . . . 0.0 111.179 -179.435 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -116.63 114.28 23.87 Favored 'General case' 0 CA--C 1.527 0.092 0 N-CA-C 107.332 -1.358 . . . . 0.0 107.332 178.612 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 40.7 t -59.42 -43.64 90.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 C-N-CA 124.958 1.303 . . . . 0.0 112.926 -178.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -61.43 -55.36 32.21 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 123.737 0.815 . . . . 0.0 110.543 -178.651 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.683 HG11 HG11 ' A' ' 39' ' ' VAL . 58.5 t -62.25 -42.07 93.91 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 C-N-CA 123.358 0.663 . . . . 0.0 109.287 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.22 -35.82 70.14 Favored 'General case' 0 C--N 1.343 0.3 0 CA-C-N 118.935 0.788 . . . . 0.0 110.138 179.165 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -58.35 -55.96 28.22 Favored 'General case' 0 C--N 1.342 0.252 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 178.497 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 20.3 m -60.92 -35.47 76.77 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.059 0.943 . . . . 0.0 111.464 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 62.0 mt -63.38 -55.43 23.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-N 119.692 1.133 . . . . 0.0 108.312 179.115 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 20.4 mt -59.99 -26.52 66.11 Favored 'General case' 0 C--O 1.226 -0.179 0 C-N-CA 122.943 0.497 . . . . 0.0 110.184 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -34.57 77.85 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 117.924 -1.036 . . . . 0.0 111.741 179.598 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -82.98 -46.84 12.41 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 123.757 0.823 . . . . 0.0 110.32 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -63.6 -36.55 84.17 Favored 'General case' 0 C--N 1.341 0.205 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 -179.505 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 3.0 t . . . . . 0 N--CA 1.444 -0.734 0 C-N-CA 125.72 1.608 . . . . 0.0 107.274 -179.118 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 62.6 t . . . . . 0 N--CA 1.463 0.175 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -57.32 -47.82 80.56 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 123.638 0.775 . . . . 0.0 111.261 -179.197 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.08 -9.8 18.48 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 179.186 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 53.3 mttt -91.05 -33.07 15.65 Favored 'General case' 0 C--O 1.227 -0.108 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 178.284 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.4 mt -59.88 -57.73 10.39 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 177.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.94 -17.3 36.71 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.126 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -74.75 -65.01 0.92 Allowed 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 178.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -59.15 -37.09 76.44 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 118.066 -0.969 . . . . 0.0 112.677 -178.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 91.6 mtp -55.59 -35.71 66.09 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.558 1.072 . . . . 0.0 110.392 179.158 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.32 -12.55 66.3 Favored Glycine 0 C--N 1.341 0.829 0 C-N-CA 123.831 0.729 . . . . 0.0 113.127 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -86.97 0.53 54.99 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.073 1.437 . . . . 0.0 110.222 178.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.6 53.84 1.9 Allowed Glycine 0 C--N 1.337 0.59 0 C-N-CA 125.887 1.708 . . . . 0.0 113.996 178.458 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -136.57 158.86 43.45 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 124.273 1.029 . . . . 0.0 109.756 178.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.44 150.49 23.12 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 122.825 0.45 . . . . 0.0 110.101 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -51.74 -43.43 62.9 Favored 'General case' 0 CA--C 1.521 -0.159 0 C-N-CA 124.919 1.287 . . . . 0.0 113.518 -178.513 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -61.02 -41.34 96.36 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 118.239 0.472 . . . . 0.0 111.62 -177.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -70.79 -38.9 73.41 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 124.357 1.063 . . . . 0.0 109.483 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 79.8 t -64.02 -43.86 97.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 O-C-N 121.118 -0.989 . . . . 0.0 109.13 179.379 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -61.45 -32.32 72.29 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.455 -0.778 . . . . 0.0 110.063 179.284 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.3 tpt180 -71.82 -50.2 31.82 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.358 1.063 . . . . 0.0 108.834 178.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.06 -49.11 78.04 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 124.911 1.284 . . . . 0.0 113.158 -178.594 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.06 -34.28 77.73 Favored 'General case' 0 C--N 1.34 0.184 0 CA-C-O 117.844 -1.074 . . . . 0.0 111.882 -178.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -58.71 -53.17 61.37 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 119.431 1.014 . . . . 0.0 108.91 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 65.1 mt -59.44 -48.03 88.61 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.448 ' HA ' HG13 ' B' ' 39' ' ' VAL . . . -69.44 10.18 0.37 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.531 1.933 . . . . 0.0 116.006 -179.315 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 52.1 42.8 30.74 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 121.546 1.976 . . . . 0.0 110.092 -178.004 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 51.47 44.37 29.05 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 126.434 1.894 . . . . 0.0 111.441 -178.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -115.6 114.3 24.73 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 178.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 27.8 t -55.27 -45.47 77.69 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 C-N-CA 124.424 1.09 . . . . 0.0 110.424 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -52.39 -37.79 57.35 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.918 1.287 . . . . 0.0 112.818 -178.36 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.775 HG11 HG11 ' B' ' 39' ' ' VAL . 98.3 t -90.43 -39.6 12.11 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.186 0 C-N-CA 123.216 0.607 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.35 -34.11 66.3 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 118.788 0.722 . . . . 0.0 110.194 179.462 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -56.89 -53.53 56.86 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 107.486 -1.302 . . . . 0.0 107.486 178.215 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.6 m -59.23 -48.03 83.13 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 124.304 1.042 . . . . 0.0 110.824 179.232 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 56.1 mt -53.83 -46.61 63.56 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 C-N-CA 123.255 0.622 . . . . 0.0 110.699 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.6 mt -65.46 -20.12 66.22 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 118.574 -0.727 . . . . 0.0 111.951 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.7 mtp180 -67.0 -35.45 79.97 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 119.941 1.246 . . . . 0.0 108.109 178.171 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -82.6 -44.69 15.5 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 119.128 -0.463 . . . . 0.0 111.298 178.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 . . . . . 0 N--CA 1.469 0.504 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -179.078 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.9 t . . . . . 0 CA--C 1.532 0.258 0 CA-C-O 119.033 -0.508 . . . . 0.0 110.661 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -55.71 -34.36 65.04 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 119.632 1.105 . . . . 0.0 113.484 -178.518 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.82 -39.63 81.77 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.627 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 35.5 mttp -68.16 -44.5 75.85 Favored 'General case' 0 CA--C 1.518 -0.283 0 C-N-CA 124.763 1.225 . . . . 0.0 109.866 179.409 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 66.7 mt -55.44 -59.04 2.87 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.39 -32.05 56.28 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.67 -0.644 . . . . 0.0 112.686 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -58.11 -58.83 6.72 Favored 'General case' 0 C--N 1.341 0.22 0 C-N-CA 123.924 0.89 . . . . 0.0 109.059 179.125 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.506 HD21 HG13 ' B' ' 37' ' ' VAL . 4.1 mm? -67.15 -36.36 81.68 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-O 118.371 -0.824 . . . . 0.0 111.763 -179.609 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 95.6 mtp -55.56 -38.24 69.07 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 119.5 1.045 . . . . 0.0 110.448 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.17 -20.86 65.5 Favored Glycine 0 CA--C 1.525 0.713 0 CA-C-O 119.643 -0.532 . . . . 0.0 112.659 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -76.82 -5.0 46.48 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.732 1.266 . . . . 0.0 112.215 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.88 -3.69 25.8 Favored Glycine 0 C--N 1.335 0.509 0 CA-C-O 117.975 -1.458 . . . . 0.0 115.91 178.019 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -82.53 156.05 24.21 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 119.364 1.582 . . . . 0.0 111.36 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.28 158.38 24.8 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.842 0.857 . . . . 0.0 108.833 179.366 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -52.08 -48.12 64.85 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 125.312 1.445 . . . . 0.0 112.818 -178.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -61.18 -44.57 97.08 Favored 'General case' 0 CA--C 1.521 -0.144 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -178.524 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -59.52 -47.55 85.08 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 124.717 1.207 . . . . 0.0 109.496 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 97.4 t -64.37 -50.5 76.08 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.757 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 10.0 mtpt -58.14 -35.34 71.37 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 118.208 0.458 . . . . 0.0 111.415 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 24.3 tpt180 -65.67 -59.63 3.73 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.21 -42.1 76.68 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 124.414 1.086 . . . . 0.0 113.199 -178.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -63.21 -42.26 99.25 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 117.435 -1.269 . . . . 0.0 111.269 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -62.96 -49.52 74.39 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 120.407 1.458 . . . . 0.0 110.097 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 70.3 mt -55.82 -48.91 77.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.9 10.22 0.3 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.969 1.708 . . . . 0.0 114.907 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 55.57 38.4 30.15 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 120.982 1.719 . . . . 0.0 109.597 -178.279 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 54.28 49.39 18.66 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 128.574 2.749 . . . . 0.0 110.3 -178.67 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -116.75 118.21 31.91 Favored 'General case' 0 C--N 1.333 -0.131 0 C-N-CA 124.878 1.271 . . . . 0.0 107.722 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.506 HG13 HD21 ' B' ' 16' ' ' LEU . 65.5 t -65.25 -44.55 95.03 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-N 118.656 0.662 . . . . 0.0 112.477 -179.316 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -55.44 -42.86 74.81 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.238 0.615 . . . . 0.0 110.455 -178.124 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.775 HG11 HG11 ' A' ' 39' ' ' VAL . 88.7 t -76.41 -47.29 30.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 C-N-CA 123.48 0.712 . . . . 0.0 109.627 179.462 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.38 -32.15 64.5 Favored 'General case' 0 C--N 1.341 0.197 0 CA-C-N 118.793 0.724 . . . . 0.0 111.624 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -59.76 -50.41 73.92 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 178.559 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 69.5 m -63.05 -36.15 82.63 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.84 0.856 . . . . 0.0 110.739 179.012 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 58.3 mt -60.64 -54.91 28.68 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 N-CA-C 107.113 -1.44 . . . . 0.0 107.113 178.445 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 28.1 mt -60.99 -30.34 70.23 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 124.118 0.967 . . . . 0.0 111.507 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 53.2 mtp180 -68.15 -37.42 81.01 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 118.329 0.513 . . . . 0.0 110.021 179.375 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.96 -39.36 23.79 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 123.651 0.78 . . . . 0.0 110.476 178.836 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -69.36 -37.05 77.43 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.979 1.312 . . . . 0.0 113.456 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 N--CA 1.452 -0.353 0 C-N-CA 123.347 0.659 . . . . 0.0 109.394 -179.164 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.0 p . . . . . 0 CA--C 1.527 0.083 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -58.04 -35.92 71.99 Favored 'General case' 0 N--CA 1.466 0.364 0 O-C-N 121.727 -0.608 . . . . 0.0 111.27 -179.607 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.85 -40.62 95.44 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 121.369 0.604 . . . . 0.0 109.818 178.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.433 ' HB3' HD11 ' A' ' 30' ' ' LEU . 48.4 mttp -66.58 -42.54 86.85 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.485 0.714 . . . . 0.0 109.434 179.532 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 85.9 mt -59.05 -52.75 56.96 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.137 0 N-CA-C 107.133 -1.432 . . . . 0.0 107.133 179.181 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.8 -44.56 77.93 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 117.787 0.267 . . . . 0.0 110.571 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.7 tttp -56.46 -56.24 23.71 Favored 'General case' 0 C--N 1.34 0.165 0 C-N-CA 123.399 0.68 . . . . 0.0 110.305 179.44 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.59 -35.04 78.26 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 118.904 0.774 . . . . 0.0 111.931 179.503 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 84.3 mtp -60.83 -26.18 67.15 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 119.708 1.14 . . . . 0.0 108.168 177.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.12 -2.03 65.15 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 125.918 1.723 . . . . 0.0 112.009 178.475 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -97.75 2.75 49.89 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.226 1.513 . . . . 0.0 109.322 178.451 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.94 50.08 4.27 Favored Glycine 0 C--N 1.341 0.807 0 C-N-CA 124.838 1.208 . . . . 0.0 113.286 178.345 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -133.92 150.06 51.31 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-N 118.142 0.971 . . . . 0.0 108.95 179.259 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.23 151.69 44.06 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-O 121.226 0.536 . . . . 0.0 109.575 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -53.64 -42.81 68.2 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 123.016 0.526 . . . . 0.0 112.255 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -65.09 -24.86 67.56 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -178.37 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -83.83 -43.38 15.43 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.4 t -63.33 -54.25 35.37 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 C-N-CA 124.756 1.222 . . . . 0.0 111.041 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt -57.12 -37.94 72.72 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -61.6 -52.97 62.2 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.68 -44.13 90.16 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 123.767 0.827 . . . . 0.0 112.309 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.433 HD11 ' HB3' ' A' ' 12' ' ' LYS . 3.1 mm? -60.26 -46.4 89.95 Favored 'General case' 0 C--N 1.34 0.176 0 CA-C-O 118.497 -0.763 . . . . 0.0 111.063 -179.698 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -56.76 -53.34 58.88 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 124.046 0.938 . . . . 0.0 110.29 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.9 mt -57.13 -45.22 84.32 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 C-N-CA 123.885 0.874 . . . . 0.0 108.976 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.33 4.57 2.19 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 127.117 2.167 . . . . 0.0 115.035 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 56.88 41.13 28.35 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 120.371 1.441 . . . . 0.0 108.082 -177.188 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 54.01 58.8 4.71 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 128.953 2.901 . . . . 0.0 111.1 -178.616 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 36.2 t-20 -122.81 121.94 37.48 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 124.804 1.242 . . . . 0.0 108.533 179.148 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.7 t -62.86 -46.65 95.81 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.191 0 C-N-CA 123.617 0.767 . . . . 0.0 112.243 -179.475 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -60.86 -46.48 90.43 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 118.733 0.697 . . . . 0.0 111.042 -178.303 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.726 HG11 HG11 ' B' ' 39' ' ' VAL . 47.4 t -69.11 -41.66 81.55 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 179.479 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.32 -40.24 89.88 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-N 119.606 1.093 . . . . 0.0 110.577 179.175 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -59.22 -48.73 80.54 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 178.371 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.0 m -59.56 -39.6 84.59 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.259 1.024 . . . . 0.0 110.938 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 74.2 mt -64.6 -48.94 82.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-N 119.562 1.074 . . . . 0.0 108.42 178.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.9 mt -63.67 -28.08 69.66 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 121.811 -0.556 . . . . 0.0 110.059 179.383 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.2 mmt180 -70.42 -14.41 62.54 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 123.949 0.9 . . . . 0.0 110.722 178.427 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -100.15 -53.79 3.05 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 125.056 1.342 . . . . 0.0 108.073 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 . . . . . 0 C--N 1.344 0.336 0 CA-C-N 118.224 0.465 . . . . 0.0 112.227 -179.77 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 6.4 p . . . . . 0 CA--C 1.533 0.318 0 CA-C-O 120.816 0.341 . . . . 0.0 110.692 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -58.26 -52.47 65.43 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 126.056 1.742 . . . . 0.0 110.174 -178.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.21 -17.77 64.76 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 122.443 0.297 . . . . 0.0 111.382 178.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -81.74 -43.25 18.67 Favored 'General case' 0 CA--C 1.517 -0.303 0 O-C-N 120.778 -1.201 . . . . 0.0 108.123 178.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 75.7 mt -61.38 -50.32 80.9 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 N-CA-C 104.988 -2.226 . . . . 0.0 104.988 178.143 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.83 -34.96 65.86 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.355 0.662 . . . . 0.0 112.218 179.372 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 36.9 tttp -65.8 -56.42 12.02 Favored 'General case' 0 CA--C 1.519 -0.223 0 C-N-CA 123.543 0.737 . . . . 0.0 110.757 179.665 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -62.95 -36.39 83.3 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 118.933 0.788 . . . . 0.0 110.393 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 89.6 mtp -62.66 -24.92 67.87 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.781 0.718 . . . . 0.0 109.512 177.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.42 -24.82 75.96 Favored Glycine 0 CA--C 1.525 0.668 0 C-N-CA 124.994 1.283 . . . . 0.0 111.195 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -68.81 -55.59 10.72 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 106.15 -1.796 . . . . 0.0 106.15 178.717 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 158.26 -5.82 0.15 Allowed Glycine 0 CA--C 1.524 0.624 0 C-N-CA 124.245 0.926 . . . . 0.0 114.301 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -71.53 156.13 39.78 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-N 118.663 1.232 . . . . 0.0 110.834 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.49 156.72 26.42 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 123.191 0.596 . . . . 0.0 110.694 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -55.6 -43.04 75.66 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 121.691 -0.631 . . . . 0.0 110.791 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -57.93 -31.94 67.31 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.507 1.123 . . . . 0.0 112.995 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -86.13 -47.93 9.06 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 125.149 1.38 . . . . 0.0 109.108 -179.14 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 72.2 t -59.1 -53.78 43.33 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 C-N-CA 124.246 1.018 . . . . 0.0 111.75 -178.686 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 21.6 ttpt -58.91 -36.94 75.54 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -63.18 -50.73 69.16 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 179.567 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.67 -43.54 97.54 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 124.099 0.96 . . . . 0.0 112.698 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.84 -41.68 99.44 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-N 119.443 1.019 . . . . 0.0 109.376 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.38 -51.21 70.34 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 118.809 0.732 . . . . 0.0 110.319 179.74 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 47.4 mt -58.88 -46.36 91.23 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.65 9.06 0.71 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 126.507 1.923 . . . . 0.0 114.501 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 54.71 32.49 17.48 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 120.432 1.469 . . . . 0.0 111.203 -178.172 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 68.12 49.53 0.85 Allowed 'General case' 0 C--O 1.237 0.406 0 C-N-CA 128.854 2.861 . . . . 0.0 111.218 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -121.05 116.19 24.56 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 123.999 0.92 . . . . 0.0 109.643 179.169 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 24.2 t -58.46 -45.78 89.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 C-N-CA 125.421 1.488 . . . . 0.0 111.421 179.566 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -57.84 -43.77 86.08 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 124.464 1.105 . . . . 0.0 110.803 -177.367 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.726 HG11 HG11 ' A' ' 39' ' ' VAL . 41.4 t -78.22 -40.6 25.79 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-O 119.48 -0.295 . . . . 0.0 110.28 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.4 -34.13 64.1 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 118.618 0.644 . . . . 0.0 111.879 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 43.1 mtt180 -56.45 -44.44 80.51 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 118.357 -0.83 . . . . 0.0 110.592 178.731 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 4.1 m -66.29 -39.32 89.29 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.666 0.786 . . . . 0.0 110.942 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 86.6 mt -62.11 -50.4 80.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.7 mt -63.68 -27.61 69.34 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.437 0.695 . . . . 0.0 109.888 179.342 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.32 -17.35 64.24 Favored 'General case' 0 C--N 1.341 0.201 0 O-C-N 121.177 -0.952 . . . . 0.0 110.761 178.217 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -101.55 -45.53 5.25 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 119.174 0.897 . . . . 0.0 110.773 177.442 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -65.02 -29.99 70.94 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 118.708 0.686 . . . . 0.0 112.443 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 46.4 t . . . . . 0 N--CA 1.454 -0.237 0 C-N-CA 124.696 1.198 . . . . 0.0 108.071 179.447 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 40.2 t . . . . . 0 CA--C 1.536 0.438 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.3 -40.48 82.13 Favored 'General case' 0 N--CA 1.462 0.147 0 C-N-CA 124.26 1.024 . . . . 0.0 110.969 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.07 -39.48 94.84 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 122.935 0.494 . . . . 0.0 110.666 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.411 ' HB3' HD11 ' A' ' 30' ' ' LEU . 70.9 mttt -66.99 -47.45 71.49 Favored 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.262 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 56.8 mt -56.55 -56.81 11.87 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.153 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 178.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.98 -34.48 63.38 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.257 0.623 . . . . 0.0 111.601 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -64.32 -56.81 11.89 Favored 'General case' 0 C--N 1.341 0.239 0 CA-C-N 119.375 0.989 . . . . 0.0 108.647 178.437 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -58.96 -40.51 84.93 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 118.888 0.767 . . . . 0.0 110.137 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 90.9 mtp -61.05 -32.38 72.0 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 119.696 1.135 . . . . 0.0 109.523 178.495 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.04 -13.4 72.7 Favored Glycine 0 CA--C 1.531 1.045 0 C-N-CA 124.735 1.16 . . . . 0.0 111.475 178.764 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -79.42 -32.32 42.83 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 119.312 1.556 . . . . 0.0 107.14 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 123.67 67.92 0.21 Allowed Glycine 0 C--N 1.337 0.627 0 C-N-CA 125.597 1.57 . . . . 0.0 111.169 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -144.63 156.2 44.0 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.7 1.2 . . . . 0.0 110.631 178.251 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.56 158.85 30.84 Favored 'General case' 0 C--N 1.341 0.221 0 C-N-CA 124.87 1.268 . . . . 0.0 110.129 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -59.07 -43.23 91.73 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 -178.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -68.76 -41.35 78.99 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 119.697 1.135 . . . . 0.0 112.412 -178.154 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -57.84 -50.53 72.98 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 123.581 0.752 . . . . 0.0 109.197 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.3 t -64.04 -45.56 96.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 O-C-N 121.783 -0.573 . . . . 0.0 110.747 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.7 ttpt -59.37 -33.39 71.12 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 118.559 0.618 . . . . 0.0 111.512 -179.653 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -75.83 -52.3 10.68 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 178.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.24 -46.59 72.61 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.54 1.136 . . . . 0.0 112.062 -178.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.411 HD11 ' HB3' ' A' ' 12' ' ' LYS . 2.8 mm? -62.08 -44.48 96.58 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.846 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -61.87 -48.8 78.91 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 119.107 0.867 . . . . 0.0 110.386 -179.399 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 95.7 mt -56.76 -46.23 83.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 N-CA-C 107.402 -1.332 . . . . 0.0 107.402 179.311 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.74 5.73 1.03 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.76 1.624 . . . . 0.0 114.546 179.435 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 53.84 43.9 30.29 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 120.921 1.692 . . . . 0.0 107.549 -177.027 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 49.08 49.46 19.48 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 129.104 2.962 . . . . 0.0 110.493 -178.377 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -111.04 116.86 31.88 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 106.499 -1.667 . . . . 0.0 106.499 178.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.2 t -58.04 -49.45 81.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 C-N-CA 123.656 0.783 . . . . 0.0 111.851 -179.14 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -60.96 -40.56 93.83 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -178.283 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.839 HG11 HG11 ' B' ' 39' ' ' VAL . 35.0 t -74.29 -40.46 50.13 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 179.235 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.97 -35.36 73.05 Favored 'General case' 0 CA--C 1.531 0.22 0 O-C-N 121.371 -0.831 . . . . 0.0 109.959 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 35.2 ttt-85 -64.97 -20.03 66.28 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 122.81 0.444 . . . . 0.0 111.454 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.0 m -90.76 -38.47 12.99 Favored 'General case' 0 C--O 1.226 -0.156 0 C-N-CA 124.903 1.281 . . . . 0.0 108.518 178.011 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 66.5 mt -58.12 -46.17 88.37 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 179.181 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 55.4 mt -70.02 -9.95 57.01 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 118.261 -0.876 . . . . 0.0 112.765 179.473 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -68.57 -41.65 79.41 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 176.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -74.91 -51.33 14.07 Favored 'General case' 0 CA--C 1.523 -0.082 0 O-C-N 123.994 0.808 . . . . 0.0 110.274 179.274 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 . . . . . 0 N--CA 1.466 0.335 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 -178.971 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 53.6 t . . . . . 0 CA--C 1.538 0.517 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.16 -51.69 61.2 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 125.514 1.526 . . . . 0.0 112.026 -179.705 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.53 -25.78 68.21 Favored 'General case' 0 C--O 1.23 0.078 0 CA-C-O 119.131 -0.462 . . . . 0.0 112.108 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' LYS . . . . . 0.424 ' HB3' HD11 ' B' ' 30' ' ' LEU . 45.2 mttp -72.45 -41.12 66.45 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 179.156 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 94.1 mt -61.08 -51.02 78.04 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 N-CA-C 105.635 -1.987 . . . . 0.0 105.635 178.533 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.4 -41.64 80.69 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 121.829 -0.545 . . . . 0.0 110.561 179.144 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 31.2 tttp -58.51 -53.34 59.44 Favored 'General case' 0 C--N 1.339 0.134 0 C-N-CA 123.68 0.792 . . . . 0.0 111.141 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -68.25 -40.5 81.95 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 117.392 -1.289 . . . . 0.0 110.723 179.283 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 93.2 mtp -55.41 -35.96 65.94 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 120.525 1.511 . . . . 0.0 109.201 178.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.2 -18.36 54.88 Favored Glycine 0 CA--C 1.531 1.043 0 C-N-CA 125.091 1.329 . . . . 0.0 113.561 179.21 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -86.08 -5.0 59.29 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.504 1.652 . . . . 0.0 109.721 178.504 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.37 66.05 0.98 Allowed Glycine 0 C--N 1.338 0.682 0 C-N-CA 126.004 1.764 . . . . 0.0 112.556 179.406 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -139.96 161.15 38.29 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 124.388 1.075 . . . . 0.0 109.964 178.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' ALA . . . . . 0.428 ' HB3' ' CG ' ' B' ' 25' ' ' GLU . . . -77.35 156.64 31.13 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 122.841 0.456 . . . . 0.0 110.68 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -62.59 -44.58 95.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.069 -0.395 . . . . 0.0 110.357 178.58 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -63.29 -40.72 98.16 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 117.798 0.272 . . . . 0.0 111.026 -178.358 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.428 ' CG ' ' HB3' ' B' ' 22' ' ' ALA . 5.6 mm-40 -63.24 -53.38 53.84 Favored 'General case' 0 N--CA 1.461 0.078 0 C-N-CA 125.444 1.497 . . . . 0.0 109.083 179.514 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 75.7 t -60.32 -52.66 58.79 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 C-N-CA 124.072 0.949 . . . . 0.0 111.696 -178.474 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 25.5 ttpt -55.24 -39.49 69.79 Favored 'General case' 0 CA--C 1.518 -0.258 0 O-C-N 123.961 0.788 . . . . 0.0 110.18 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -70.45 -51.59 28.2 Favored 'General case' 0 N--CA 1.453 -0.289 0 O-C-N 123.504 0.503 . . . . 0.0 110.298 -179.393 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.89 -39.12 77.12 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 118.382 -0.818 . . . . 0.0 111.515 -179.161 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' B' ' 35' ' ' ASN . 0.7 OUTLIER -63.18 -43.32 98.58 Favored 'General case' 0 C--N 1.343 0.304 0 CA-C-N 119.945 1.248 . . . . 0.0 108.451 178.572 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.09 -48.3 78.93 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 125.501 1.52 . . . . 0.0 109.707 -179.605 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 76.3 mt -64.13 -45.75 95.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.424 ' HB2' HD12 ' B' ' 43' ' ' ILE . . . -67.48 13.78 0.06 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.666 1.986 . . . . 0.0 115.228 -179.666 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 34' ' ' GLN . . . . . 0.598 ' HG3' HG22 ' A' ' 39' ' ' VAL . 6.3 mm100 54.18 42.6 31.46 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 120.955 1.707 . . . . 0.0 107.893 -178.027 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 35' ' ' ASN . . . . . 0.447 ' HA ' HD12 ' B' ' 30' ' ' LEU . 87.3 m-20 51.88 36.19 17.55 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 128.337 2.655 . . . . 0.0 111.258 -178.542 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 36.3 t-20 -109.82 119.42 39.29 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 120.122 1.328 . . . . 0.0 112.238 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 40.8 t -55.63 -44.88 78.36 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 C-N-CA 124.876 1.27 . . . . 0.0 112.007 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -58.13 -33.11 68.8 Favored 'General case' 0 C--O 1.231 0.08 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 -177.574 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.839 HG11 HG11 ' A' ' 39' ' ' VAL . 61.9 t -92.62 -41.06 12.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 C-N-CA 123.244 0.618 . . . . 0.0 110.694 -179.296 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.03 -35.69 64.71 Favored 'General case' 0 C--O 1.231 0.105 0 C-N-CA 123.876 0.87 . . . . 0.0 111.684 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 50.3 ttt-85 -62.53 -43.09 99.66 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 179.347 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 23.1 m -69.96 -34.65 73.68 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.165 0.586 . . . . 0.0 110.36 178.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.424 HD12 ' HB2' ' B' ' 33' ' ' ALA . 30.5 mt -60.71 -48.61 87.97 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 178.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 36.8 mt -62.5 -20.58 64.74 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.529 0.732 . . . . 0.0 112.414 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 -68.6 -38.71 80.84 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 120.078 1.308 . . . . 0.0 111.053 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -76.01 -43.43 44.28 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 123.704 0.627 . . . . 0.0 109.771 179.182 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -67.59 -37.35 82.46 Favored 'General case' 0 CA--C 1.529 0.17 0 O-C-N 121.632 -0.667 . . . . 0.0 111.418 179.661 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.444 -0.735 0 C-N-CA 126.353 1.861 . . . . 0.0 110.662 -177.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.691 0 N-CA-C 110.271 -1.132 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 p -46.76 -38.58 10.26 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 126.631 1.972 . . . . 0.0 115.96 -179.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 m -135.05 138.46 43.92 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.41 8.42 7.44 Favored Glycine 0 CA--C 1.524 0.597 0 CA-C-O 118.015 -1.436 . . . . 0.0 114.202 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.4 t -122.07 92.57 3.76 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 118.98 1.39 . . . . 0.0 108.471 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t 48.84 -164.43 0.03 OUTLIER 'General case' 0 C--O 1.239 0.517 0 C-N-CA 127.473 2.309 . . . . 0.0 113.973 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.52 -76.21 0.24 Allowed Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 125.787 1.66 . . . . 0.0 110.649 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -135.34 164.46 27.7 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 117.701 0.751 . . . . 0.0 110.37 -179.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.0 t -120.27 -52.7 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 C-N-CA 123.699 0.8 . . . . 0.0 110.241 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -57.74 -38.07 74.71 Favored 'General case' 0 C--O 1.233 0.191 0 O-C-N 121.45 -0.781 . . . . 0.0 112.728 -178.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.4 -38.05 89.64 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -66.98 -40.45 87.43 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.46 0.704 . . . . 0.0 109.546 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 95.5 mt -61.6 -51.08 77.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 N-CA-C 106.36 -1.719 . . . . 0.0 106.36 178.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.4 -41.1 68.87 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 122.975 0.51 . . . . 0.0 110.279 179.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.5 tptt -54.65 -63.25 1.21 Allowed 'General case' 0 C--O 1.234 0.246 0 C-N-CA 125.102 1.361 . . . . 0.0 110.637 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.58 -36.22 82.0 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.382 1.073 . . . . 0.0 112.268 -179.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 87.5 mtp -58.96 -29.96 67.56 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 119.578 1.081 . . . . 0.0 108.937 178.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.67 -16.36 69.81 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 124.324 0.964 . . . . 0.0 112.382 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -78.78 -7.54 57.92 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 118.458 1.129 . . . . 0.0 108.975 178.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.08 44.92 3.19 Favored Glycine 0 C--N 1.343 0.944 0 C-N-CA 125.353 1.454 . . . . 0.0 113.057 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -126.77 152.83 46.37 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 118.58 1.19 . . . . 0.0 109.839 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.01 147.62 48.42 Favored 'General case' 0 C--N 1.339 0.131 0 C-N-CA 123.143 0.577 . . . . 0.0 109.964 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -50.37 -44.05 54.6 Favored 'General case' 0 C--O 1.224 -0.257 0 C-N-CA 124.811 1.245 . . . . 0.0 111.999 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -57.21 -49.15 76.91 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.669 1.188 . . . . 0.0 112.408 -178.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -65.17 -40.14 93.88 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 125.467 1.507 . . . . 0.0 109.212 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 88.4 t -66.41 -45.63 88.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 O-C-N 121.406 -0.809 . . . . 0.0 109.587 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.8 -38.8 76.16 Favored 'General case' 0 CA--C 1.528 0.126 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 179.225 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.07 -50.98 68.44 Favored 'General case' 0 C--N 1.339 0.148 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 179.358 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.44 -45.83 84.26 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 122.991 0.516 . . . . 0.0 112.359 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -69.12 -28.44 66.47 Favored 'General case' 0 C--N 1.34 0.169 0 CA-C-O 117.512 -1.232 . . . . 0.0 111.715 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -64.99 -58.68 5.48 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 61.2 mt -55.98 -51.33 62.41 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 C-N-CA 126.297 1.839 . . . . 0.0 110.264 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.75 12.76 0.07 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.297 1.839 . . . . 0.0 115.813 -178.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 51.74 41.55 29.18 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 120.975 1.716 . . . . 0.0 109.026 -177.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.0 m120 55.37 54.95 7.94 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 127.615 2.366 . . . . 0.0 111.517 -179.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -126.48 118.96 26.01 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 121.041 -1.037 . . . . 0.0 109.769 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 30.9 t -61.06 -46.74 96.07 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 C-N-CA 125.367 1.467 . . . . 0.0 112.729 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -59.12 -31.71 69.18 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 125.207 1.403 . . . . 0.0 111.861 -177.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 98.2 t -90.88 -40.29 12.52 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 127.792 2.437 . . . . 0.0 111.121 -179.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.94 -32.18 72.57 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 124.345 1.058 . . . . 0.0 111.47 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 20.1 ttm180 -58.72 -36.87 74.99 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 118.978 -0.534 . . . . 0.0 109.75 179.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.9 m -68.29 -34.76 76.75 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.926 0.89 . . . . 0.0 111.319 179.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 82.1 mt -67.66 -50.76 57.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 C-N-CA 123.831 0.853 . . . . 0.0 108.705 -179.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.9 mt -62.54 -34.29 76.62 Favored 'General case' 0 N--CA 1.461 0.088 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -59.36 -44.72 92.67 Favored 'General case' 0 C--O 1.224 -0.254 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 178.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -69.16 -52.99 22.48 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.318 1.047 . . . . 0.0 111.432 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -68.84 -22.02 64.25 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 116.11 1.893 . . . . 0.0 116.11 -178.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.0 t -117.94 -59.97 1.85 Allowed 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 120.398 1.454 . . . . 0.0 111.585 -178.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.14 71.52 1.11 Allowed Glycine 0 CA--C 1.534 1.235 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -70.47 151.18 64.87 Favored 'Trans proline' 0 C--O 1.238 0.507 0 C-N-CA 122.873 2.382 . . . . 0.0 112.943 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.1 m -96.54 166.99 11.42 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.133 0.973 . . . . 0.0 110.859 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 56.9 m -145.68 -170.35 3.44 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 128.883 2.873 . . . . 0.0 106.343 178.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.503 -0.668 0 CA-C-O 117.816 -1.547 . . . . 0.0 110.846 179.06 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.084 0 N-CA-C 109.301 -1.52 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 77.6 p -66.23 -35.26 79.96 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 119.094 1.447 . . . . 0.0 113.445 -179.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 70.9 m -147.1 141.78 26.68 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.04 8.51 5.72 Favored Glycine 0 CA--C 1.526 0.737 0 CA-C-O 118.441 -1.2 . . . . 0.0 114.701 -179.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 2.2 t -77.71 91.92 4.11 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 119.828 1.814 . . . . 0.0 108.972 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 6.1 t 44.98 -118.2 0.66 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.553 1.541 . . . . 0.0 111.228 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.54 -167.66 13.68 Favored Glycine 0 C--N 1.338 0.656 0 C-N-CA 124.262 0.934 . . . . 0.0 112.117 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -58.03 147.7 28.58 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 178.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.414 HG22 HD22 ' B' ' 35' ' ' ASN . 20.3 t -101.58 -38.43 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 118.886 0.766 . . . . 0.0 109.808 -179.422 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.55 -44.37 85.15 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 123.943 0.897 . . . . 0.0 109.777 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.5 -20.09 59.02 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.957 0.903 . . . . 0.0 112.955 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 41.0 mttp -89.87 -45.01 9.54 Favored 'General case' 0 CA--C 1.519 -0.213 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 79.4 mt -59.55 -55.89 20.8 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.14 -21.55 33.42 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.545 0.738 . . . . 0.0 112.529 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 58.2 tttt -78.82 -58.42 3.25 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 119.38 0.991 . . . . 0.0 109.659 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.04 -33.3 71.84 Favored 'General case' 0 C--N 1.339 0.15 0 CA-C-N 119.015 0.825 . . . . 0.0 111.743 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 90.9 mtp -60.29 -30.54 69.54 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 118.75 0.704 . . . . 0.0 110.335 178.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.03 -21.15 76.82 Favored Glycine 0 CA--C 1.528 0.847 0 CA-C-O 118.878 -0.957 . . . . 0.0 111.849 179.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -64.9 -53.65 43.22 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 105.874 -1.898 . . . . 0.0 105.874 178.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 151.16 16.12 0.07 OUTLIER Glycine 0 CA--C 1.532 1.12 0 CA-C-O 118.28 -1.289 . . . . 0.0 114.231 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -100.81 152.33 20.64 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 119.565 1.683 . . . . 0.0 111.011 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.18 160.66 32.06 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.676 0.791 . . . . 0.0 111.808 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -56.73 -45.07 82.14 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.602 0.761 . . . . 0.0 110.724 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -51.53 -53.95 32.42 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 125.622 1.569 . . . . 0.0 110.252 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -62.07 -46.98 86.72 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 126.591 1.956 . . . . 0.0 112.13 -178.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 84.2 t -64.64 -53.37 43.18 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 C-N-CA 123.249 0.619 . . . . 0.0 111.451 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 mtpt -54.89 -39.65 68.95 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 118.022 0.374 . . . . 0.0 110.309 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -64.95 -53.98 37.76 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.45 -43.55 71.73 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 122.714 0.405 . . . . 0.0 111.916 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.84 -43.12 97.12 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-O 118.183 -0.913 . . . . 0.0 111.061 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -59.45 -38.73 81.47 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 119.159 0.89 . . . . 0.0 111.585 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 81.7 mt -72.05 -42.21 67.84 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 C-N-CA 124.329 1.052 . . . . 0.0 109.019 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.17 6.85 2.49 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 128.689 2.796 . . . . 0.0 114.362 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 57.51 45.77 19.01 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 119.58 1.082 . . . . 0.0 108.256 -176.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ASN . . . . . 0.414 HD22 HG22 ' B' ' 9' ' ' VAL . 4.2 m-20 48.33 62.1 2.69 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 128.872 2.869 . . . . 0.0 110.557 179.425 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 64.4 t-20 -135.06 120.26 18.89 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.167 1.387 . . . . 0.0 110.45 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 29.1 t -58.63 -44.94 90.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 C-N-CA 124.164 0.985 . . . . 0.0 111.64 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -55.2 -39.3 69.47 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.064 0.946 . . . . 0.0 112.687 -177.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 61.3 t -86.56 -38.55 12.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-O 118.861 -0.59 . . . . 0.0 109.798 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.64 -33.33 46.35 Favored 'General case' 0 C--N 1.342 0.263 0 CA-C-N 119.184 0.902 . . . . 0.0 111.707 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -58.43 -51.15 71.06 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 178.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 6.3 m -59.76 -30.33 68.78 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.487 1.115 . . . . 0.0 112.264 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 99.6 mt -75.54 -46.01 38.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 21.7 mt -63.34 -30.92 71.97 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 178.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -67.17 -23.07 65.73 Favored 'General case' 0 CA--C 1.529 0.137 0 O-C-N 121.111 -0.993 . . . . 0.0 109.953 177.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -91.67 -43.33 9.66 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 119.136 0.88 . . . . 0.0 110.748 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -76.61 -22.7 53.81 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 119.068 0.849 . . . . 0.0 112.637 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 7.7 t -124.86 -60.92 1.34 Allowed 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 125.154 1.381 . . . . 0.0 111.521 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 54.24 60.79 7.96 Favored Glycine 0 CA--C 1.535 1.326 0 CA-C-O 118.332 -1.26 . . . . 0.0 111.316 -178.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -61.91 163.31 19.52 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 123.305 2.67 . . . . 0.0 113.629 -178.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 2.0 m -93.31 159.81 15.1 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 125.502 1.521 . . . . 0.0 111.359 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 19.6 m -144.11 153.76 42.49 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 106.028 -1.842 . . . . 0.0 106.028 177.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 N-CA-C 105.558 -3.017 . . . . 0.0 105.558 -178.833 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.685 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.7 m 57.09 -167.2 0.13 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.783 1.233 . . . . 0.0 111.488 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t -91.71 98.48 11.66 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 105.725 -1.954 . . . . 0.0 105.725 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.62 145.85 19.06 Favored Glycine 0 CA--C 1.522 0.483 0 N-CA-C 109.873 -1.291 . . . . 0.0 109.873 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.4 165.87 14.93 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 124.626 1.17 . . . . 0.0 109.3 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.4 t 49.41 -134.14 1.44 Allowed 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.975 1.31 . . . . 0.0 110.559 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.43 -160.91 24.86 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 109.729 -1.349 . . . . 0.0 109.729 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -53.97 137.26 39.79 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.545 0.738 . . . . 0.0 110.679 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 38.3 t -104.42 -37.59 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 C-N-CA 125.158 1.383 . . . . 0.0 112.563 -178.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -52.87 -46.79 68.06 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 125.007 1.323 . . . . 0.0 110.806 -179.089 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.81 -33.1 75.19 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.021 0.928 . . . . 0.0 110.889 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 46.7 mttp -64.66 -44.69 89.58 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 119.475 1.034 . . . . 0.0 108.361 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 92.8 mt -63.06 -49.35 83.79 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.62 -34.89 67.69 Favored 'General case' 0 CA--C 1.536 0.426 0 O-C-N 121.604 -0.685 . . . . 0.0 112.251 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.6 tptm -61.35 -63.52 1.25 Allowed 'General case' 0 C--N 1.339 0.121 0 C-N-CA 124.899 1.28 . . . . 0.0 108.47 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.16 -35.75 77.96 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 118.39 -0.814 . . . . 0.0 112.358 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 84.3 mtp -58.56 -34.63 71.26 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 119.789 1.177 . . . . 0.0 110.064 178.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -66.97 -18.2 68.51 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 123.867 0.746 . . . . 0.0 112.484 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -72.1 -14.61 61.89 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.741 1.27 . . . . 0.0 109.485 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.66 39.82 1.83 Allowed Glycine 0 CA--C 1.526 0.769 0 C-N-CA 125.364 1.459 . . . . 0.0 111.47 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -128.89 149.11 50.91 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 119.027 1.413 . . . . 0.0 109.911 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.17 154.29 33.29 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 121.702 0.763 . . . . 0.0 110.409 -179.136 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -52.3 -39.02 59.97 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 126.624 1.97 . . . . 0.0 111.434 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -62.5 -46.51 88.1 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 119.201 0.909 . . . . 0.0 110.628 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -62.3 -50.59 71.06 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 124.366 1.066 . . . . 0.0 109.21 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 65.9 t -62.86 -48.33 88.56 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 C-N-CA 124.3 1.04 . . . . 0.0 111.937 -178.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -62.43 -38.08 88.34 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 118.047 -0.978 . . . . 0.0 109.187 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.6 tpt180 -64.71 -48.74 73.54 Favored 'General case' 0 C--N 1.341 0.196 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.18 -60.17 3.69 Favored 'General case' 0 N--CA 1.434 -1.244 0 C-N-CA 125.929 1.692 . . . . 0.0 108.873 179.158 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -56.35 -25.66 50.06 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 119.473 1.033 . . . . 0.0 112.941 -178.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -69.13 -46.98 66.3 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 81.8 mt -66.01 -48.15 82.68 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 C-N-CA 125.454 1.501 . . . . 0.0 110.061 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.69 12.47 0.07 Allowed 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 116.537 2.051 . . . . 0.0 116.537 -178.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 55.8 37.2 28.57 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 120.311 1.414 . . . . 0.0 108.735 -177.152 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 51.98 57.76 6.16 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 128.089 2.556 . . . . 0.0 113.089 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 64.1 t-20 -131.86 123.94 28.53 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 126.518 1.927 . . . . 0.0 110.767 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 33.5 t -65.44 -40.69 89.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 C-N-CA 126.231 1.812 . . . . 0.0 112.67 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -59.81 -41.65 91.72 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.328 1.051 . . . . 0.0 110.939 -178.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.72 HG11 HG11 ' B' ' 39' ' ' VAL . 59.8 t -78.62 -44.29 25.84 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 178.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.15 -29.11 29.56 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 -178.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -54.63 -49.49 70.39 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 119.32 0.963 . . . . 0.0 110.795 178.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.5 m -65.28 -23.82 67.14 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.997 1.319 . . . . 0.0 113.753 -179.132 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 71.7 mt -80.59 -48.33 19.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 N-CA-C 106.487 -1.672 . . . . 0.0 106.487 179.056 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.5 mt -62.76 -26.38 68.68 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 120.405 -1.435 . . . . 0.0 110.676 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 -60.87 -53.45 57.11 Favored 'General case' 0 C--O 1.226 -0.172 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 177.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -69.55 -39.54 77.35 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 118.432 0.56 . . . . 0.0 112.096 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -73.62 -19.05 60.96 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 115.216 1.562 . . . . 0.0 115.216 -178.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.3 t -136.74 16.01 3.11 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 120.436 1.471 . . . . 0.0 113.751 -178.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -178.79 56.74 0.09 OUTLIER Glycine 0 CA--C 1.532 1.106 0 O-C-N 120.897 -1.127 . . . . 0.0 112.587 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -61.11 111.2 1.02 Allowed 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 123.391 2.728 . . . . 0.0 110.261 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.0 p -159.34 152.29 21.96 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.1 m -119.58 -7.25 10.14 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 -178.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 117.901 -1.499 . . . . 0.0 109.614 -179.718 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.781 0 N-CA-C 107.276 -2.33 . . . . 0.0 107.276 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 17.5 m 70.87 171.11 0.32 Allowed 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 127.072 2.149 . . . . 0.0 108.37 -177.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t -76.27 116.66 17.17 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 106.139 -1.8 . . . . 0.0 106.139 178.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.73 107.58 0.59 Allowed Glycine 0 N--CA 1.444 -0.773 0 N-CA-C 108.116 -1.994 . . . . 0.0 108.116 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 7.9 t -67.08 169.85 7.8 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.054 0.942 . . . . 0.0 109.192 178.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 5.7 t 69.31 172.41 0.3 Allowed 'General case' 0 C--O 1.237 0.403 0 C-N-CA 126.281 1.832 . . . . 0.0 111.677 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.71 -148.46 19.34 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 126.871 2.177 . . . . 0.0 108.457 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -87.04 163.39 17.06 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.137 1.469 . . . . 0.0 107.813 178.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 71.3 t -110.03 -45.22 6.24 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 C-N-CA 124.999 1.32 . . . . 0.0 110.981 -179.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -55.36 -41.28 72.34 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 123.926 0.89 . . . . 0.0 110.261 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.04 -38.24 85.46 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 126.092 1.757 . . . . 0.0 110.772 178.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 42.3 mttp -71.48 -42.48 68.02 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 118.191 -0.909 . . . . 0.0 109.116 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 94.1 mt -57.66 -51.86 64.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 N-CA-C 106.908 -1.516 . . . . 0.0 106.908 178.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.95 -36.43 67.79 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 122.147 0.179 . . . . 0.0 110.955 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 38.5 tttt -56.17 -45.04 79.85 Favored 'General case' 0 CA--C 1.528 0.1 0 O-C-N 121.106 -0.996 . . . . 0.0 111.836 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -69.23 -31.97 70.9 Favored 'General case' 0 CA--C 1.527 0.088 0 CA-C-N 119.275 0.943 . . . . 0.0 109.832 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 94.7 mtp -63.9 -21.93 66.69 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 177.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.41 -23.48 73.48 Favored Glycine 0 CA--C 1.536 1.351 0 N-CA-C 108.815 -1.714 . . . . 0.0 108.815 176.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -88.94 -49.43 6.79 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 177.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 134.51 8.37 1.99 Allowed Glycine 0 C--N 1.344 0.985 0 N-CA-C 117.359 1.704 . . . . 0.0 117.359 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -72.03 170.32 14.11 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 120.602 2.201 . . . . 0.0 109.837 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.52 151.39 25.43 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 177.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -52.75 -43.8 66.02 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 124.47 1.108 . . . . 0.0 113.552 -178.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -63.29 -42.36 99.08 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 122.815 0.446 . . . . 0.0 111.353 -178.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -61.87 -43.5 98.71 Favored 'General case' 0 CA--C 1.529 0.138 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 88.2 t -63.26 -53.17 49.33 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 C-N-CA 123.554 0.742 . . . . 0.0 110.508 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 19.2 ttpt -54.87 -36.68 65.37 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 18.8 tpt180 -68.65 -55.24 12.14 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.87 -40.87 76.96 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 125.982 1.713 . . . . 0.0 113.804 -178.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -60.57 -39.46 88.08 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 119.674 1.125 . . . . 0.0 110.762 -179.324 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -62.96 -46.12 89.21 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 119.248 0.931 . . . . 0.0 110.483 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 59.8 mt -59.35 -48.6 86.5 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.58 12.56 0.34 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 127.533 2.333 . . . . 0.0 115.445 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 51.79 43.88 29.71 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 120.942 1.701 . . . . 0.0 110.08 -178.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 50.71 41.2 25.8 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 128.106 2.562 . . . . 0.0 112.034 -179.252 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -114.52 115.71 27.66 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.061 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.9 t -56.77 -41.5 75.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 C-N-CA 123.834 0.853 . . . . 0.0 110.431 179.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -52.9 -34.18 53.79 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 125.328 1.451 . . . . 0.0 111.348 -178.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.72 HG11 HG11 ' A' ' 39' ' ' VAL . 38.8 t -97.42 -34.8 4.98 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-N 118.244 0.475 . . . . 0.0 109.795 179.326 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.88 -37.49 71.44 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 119.228 0.922 . . . . 0.0 109.908 179.053 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -56.95 -49.95 74.12 Favored 'General case' 0 C--O 1.222 -0.36 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 178.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 17.6 m -60.73 -30.1 69.78 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 125.183 1.393 . . . . 0.0 113.725 -179.233 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 86.3 mt -74.48 -56.89 7.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 178.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 42.3 mt -56.36 -32.61 64.9 Favored 'General case' 0 CA--C 1.519 -0.225 0 C-N-CA 125.603 1.561 . . . . 0.0 111.992 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -48.94 -52.81 22.61 Favored 'General case' 0 CA--C 1.512 -0.49 0 C-N-CA 125.305 1.442 . . . . 0.0 111.167 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -90.63 -28.03 18.68 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 118.579 -0.724 . . . . 0.0 112.879 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -63.06 -31.55 72.72 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 119.129 0.877 . . . . 0.0 108.768 179.049 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 6.3 t -113.37 22.1 14.55 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 126.451 1.9 . . . . 0.0 110.454 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 167.62 77.21 0.04 OUTLIER Glycine 0 CA--C 1.529 0.931 0 CA-C-N 120.038 1.29 . . . . 0.0 114.603 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -58.49 113.5 1.58 Allowed 'Trans proline' 0 CA--C 1.535 0.526 0 C-N-CA 123.024 2.482 . . . . 0.0 108.367 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 2.3 p -147.02 154.19 40.92 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 123.981 0.912 . . . . 0.0 108.737 -178.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 2.2 m -126.97 -10.41 6.0 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -178.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.267 0 C-N-CA 125.979 1.752 . . . . 0.0 110.073 179.86 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.535 0 N-CA-C 108.989 -1.645 . . . . 0.0 108.989 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 p -135.86 -36.59 0.76 Allowed 'General case' 0 C--O 1.236 0.348 0 C-N-CA 123.892 0.877 . . . . 0.0 111.375 179.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.3 m -160.37 120.77 2.91 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 127.323 2.249 . . . . 0.0 105.888 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.21 90.2 0.08 OUTLIER Glycine 0 C--N 1.329 0.181 0 N-CA-C 109.867 -1.293 . . . . 0.0 109.867 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.93 31.81 19.98 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.421 1.088 . . . . 0.0 113.452 179.493 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.45 132.13 49.14 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.032 1.733 . . . . 0.0 107.547 178.684 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.91 -28.09 73.01 Favored Glycine 0 CA--C 1.533 1.19 0 O-C-N 121.137 -0.977 . . . . 0.0 114.041 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -63.95 149.98 46.08 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 124.647 1.179 . . . . 0.0 111.344 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.6 p -135.65 -30.07 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.813 178.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -55.88 -51.05 68.94 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 120.394 1.452 . . . . 0.0 110.491 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.51 -31.94 69.83 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.458 0.703 . . . . 0.0 111.558 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.0 mttt -71.27 -39.39 71.58 Favored 'General case' 0 CA--C 1.519 -0.215 0 C-N-CA 123.665 0.786 . . . . 0.0 109.416 179.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 78.9 mt -62.04 -49.05 85.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 N-CA-C 105.624 -1.991 . . . . 0.0 105.624 178.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.28 -25.58 67.19 Favored 'General case' 0 CA--C 1.536 0.417 0 O-C-N 121.856 -0.528 . . . . 0.0 111.868 179.043 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.8 tttt -69.56 -63.79 1.0 Allowed 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -59.57 -34.99 73.4 Favored 'General case' 0 C--O 1.225 -0.186 0 C-N-CA 123.672 0.789 . . . . 0.0 111.562 -179.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 49.2 mmm -57.06 -26.48 60.44 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 119.15 0.886 . . . . 0.0 111.085 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.2 -18.21 74.7 Favored Glycine 0 CA--C 1.527 0.843 0 O-C-N 121.017 -1.052 . . . . 0.0 112.771 178.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -80.22 -6.38 57.74 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.194 1.398 . . . . 0.0 111.378 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.94 -0.51 55.08 Favored Glycine 0 C--N 1.34 0.77 0 C-N-CA 124.49 1.043 . . . . 0.0 114.404 179.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -74.8 161.99 29.08 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 118.627 1.213 . . . . 0.0 110.89 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.21 152.37 26.45 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 124.001 0.92 . . . . 0.0 110.274 179.147 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -55.04 -42.53 72.79 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 123.518 0.727 . . . . 0.0 110.456 179.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -57.93 -53.56 56.81 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 124.346 1.058 . . . . 0.0 110.585 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -59.68 -47.08 87.05 Favored 'General case' 0 CA--C 1.516 -0.342 0 C-N-CA 125.318 1.447 . . . . 0.0 110.822 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 64.3 t -58.87 -56.61 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 C-N-CA 124.751 1.22 . . . . 0.0 109.18 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.8 mtpt -56.62 -40.66 75.73 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-O 119.111 -0.471 . . . . 0.0 110.579 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.2 tpt180 -64.08 -46.26 85.08 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 -178.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.14 -43.92 97.78 Favored 'General case' 0 N--CA 1.445 -0.675 0 C-N-CA 123.081 0.552 . . . . 0.0 110.76 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.3 -43.49 98.79 Favored 'General case' 0 C--N 1.342 0.246 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 179.186 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -57.82 -45.34 86.29 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.283 1.433 . . . . 0.0 110.903 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.2 mt -68.69 -44.47 82.38 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.414 ' HA ' HG13 ' B' ' 39' ' ' VAL . . . -71.62 0.7 8.03 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 128.807 2.843 . . . . 0.0 115.375 -179.544 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 59.96 53.85 4.49 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.666 1.186 . . . . 0.0 108.685 -176.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 49.57 50.51 18.1 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 128.079 2.552 . . . . 0.0 110.778 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -124.17 120.98 33.87 Favored 'General case' 0 C--N 1.333 -0.14 0 O-C-N 121.475 -0.766 . . . . 0.0 111.368 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 38.6 t -63.36 -53.18 48.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 C-N-CA 125.941 1.696 . . . . 0.0 110.834 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -49.8 -48.2 50.83 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.701 1.2 . . . . 0.0 110.595 -178.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 69.1 t -73.92 -43.6 52.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 123.05 0.54 . . . . 0.0 110.543 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.22 -34.63 66.5 Favored 'General case' 0 C--N 1.341 0.214 0 CA-C-N 119.332 0.969 . . . . 0.0 110.995 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 35.0 mtp180 -60.89 -25.46 66.73 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 117.468 -1.254 . . . . 0.0 110.296 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.3 m -79.02 -55.43 5.13 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-N 120.038 1.29 . . . . 0.0 108.037 178.215 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 78.9 mt -49.84 -46.36 22.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 C-N-CA 125.534 1.534 . . . . 0.0 111.518 -178.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.2 mt -62.87 -22.58 66.8 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 118.265 -0.874 . . . . 0.0 112.142 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.8 mmt85 -70.56 -44.35 67.59 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 120.31 1.414 . . . . 0.0 107.381 178.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -57.84 -57.57 12.17 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -64.05 -49.7 71.33 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 118.813 0.733 . . . . 0.0 112.652 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.4 t -76.37 16.0 0.52 Allowed 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 117.959 -1.019 . . . . 0.0 113.038 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -43.0 -67.49 0.94 Allowed Glycine 0 CA--C 1.532 1.119 0 C-N-CA 125.546 1.546 . . . . 0.0 112.501 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -73.15 113.27 3.73 Favored 'Trans proline' 0 N--CA 1.45 -1.061 0 C-N-CA 122.809 2.34 . . . . 0.0 108.69 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 77.6 p -132.92 165.29 25.01 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 124.477 1.111 . . . . 0.0 108.165 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 33.6 m -113.79 -26.6 8.12 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.312 0 N-CA-C 108.268 -1.933 . . . . 0.0 108.268 -179.76 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.893 0 N-CA-C 110.063 -1.215 . . . . 0.0 110.063 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 20.6 p -117.52 -76.82 0.57 Allowed 'General case' 0 CA--C 1.521 -0.136 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 52.5 m -129.4 123.88 32.8 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 125.06 1.344 . . . . 0.0 108.574 -179.282 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.63 165.84 23.49 Favored Glycine 0 CA--C 1.52 0.395 0 N-CA-C 109.215 -1.554 . . . . 0.0 109.215 -179.211 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 15.7 m 54.1 18.27 1.69 Allowed 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.937 1.295 . . . . 0.0 113.876 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 17.2 p -85.4 157.82 20.4 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 125.104 1.362 . . . . 0.0 109.455 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.48 -48.57 6.68 Favored Glycine 0 CA--C 1.527 0.812 0 N-CA-C 109.468 -1.453 . . . . 0.0 109.468 178.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -46.29 109.33 0.18 Allowed 'General case' 0 C--O 1.238 0.45 0 C-N-CA 126.842 2.057 . . . . 0.0 112.944 -179.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 6.9 p -93.96 -30.05 4.3 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 C-N-CA 124.575 1.15 . . . . 0.0 109.142 178.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -48.05 -57.19 6.13 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 126.861 2.064 . . . . 0.0 112.106 -179.015 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.42 -24.88 67.65 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 21.9 mttp -72.09 -41.45 67.3 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 97.1 mt -61.34 -50.92 78.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.29 -36.89 66.65 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 118.014 0.37 . . . . 0.0 111.873 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 72.2 tttt -63.95 -62.46 1.62 Allowed 'General case' 0 C--N 1.34 0.167 0 C-N-CA 124.377 1.071 . . . . 0.0 109.846 179.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -59.2 -35.95 74.5 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-O 118.996 -0.526 . . . . 0.0 111.951 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 41.6 mmm -55.89 -36.04 67.2 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 119.355 0.98 . . . . 0.0 109.345 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.87 -8.91 55.05 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 124.929 1.252 . . . . 0.0 113.496 179.287 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -91.29 1.8 56.84 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.606 1.203 . . . . 0.0 110.7 178.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.06 48.48 3.09 Favored Glycine 0 C--N 1.338 0.659 0 C-N-CA 124.097 0.856 . . . . 0.0 114.382 178.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -132.55 159.0 40.71 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 123.314 0.645 . . . . 0.0 109.781 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.26 155.35 20.11 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 123.923 0.889 . . . . 0.0 110.877 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -55.75 -42.23 75.1 Favored 'General case' 0 N--CA 1.465 0.295 0 O-C-N 121.699 -0.626 . . . . 0.0 111.622 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -65.45 -27.7 68.7 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -82.61 -46.3 13.47 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 91.7 t -60.63 -55.6 23.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 125.009 1.324 . . . . 0.0 110.751 -179.359 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -58.86 -35.09 72.38 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-O 118.889 -0.577 . . . . 0.0 110.804 -179.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -65.68 -51.83 56.29 Favored 'General case' 0 N--CA 1.457 -0.117 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.31 -44.17 95.68 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.399 0.68 . . . . 0.0 111.601 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -58.87 -47.96 83.05 Favored 'General case' 0 C--N 1.34 0.156 0 CA-C-O 118.342 -0.837 . . . . 0.0 109.631 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -53.91 -50.32 66.66 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.415 1.086 . . . . 0.0 110.544 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 74.9 mt -59.07 -48.33 87.09 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 C-N-CA 124.194 0.997 . . . . 0.0 108.974 -179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.83 12.93 0.32 Allowed 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.157 1.783 . . . . 0.0 114.274 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 53.4 43.67 31.04 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 121.037 1.744 . . . . 0.0 109.172 -178.057 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 53.26 39.64 30.05 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 128.164 2.585 . . . . 0.0 112.235 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -104.53 122.86 46.45 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 178.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 29.6 t -59.2 -58.92 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.146 0 C-N-CA 124.71 1.204 . . . . 0.0 112.277 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -52.95 -42.9 65.91 Favored 'General case' 0 CA--C 1.522 -0.11 0 C-N-CA 124.272 1.029 . . . . 0.0 111.961 -176.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.414 HG13 ' HA ' ' A' ' 33' ' ' ALA . 62.9 t -72.84 -41.02 61.19 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 C-N-CA 125.281 1.433 . . . . 0.0 109.528 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.37 -30.6 71.31 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 119.172 0.896 . . . . 0.0 111.432 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 10.2 mtp180 -55.14 -48.66 73.37 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 118.591 0.632 . . . . 0.0 109.699 178.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 6.8 m -56.97 -42.47 80.24 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.043 1.337 . . . . 0.0 112.085 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 98.1 mt -60.89 -52.68 58.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 13.5 mt -61.78 -33.43 74.08 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-O 118.439 -0.791 . . . . 0.0 110.153 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.0 -47.78 83.27 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 119.557 1.072 . . . . 0.0 109.773 179.059 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.98 -47.07 69.57 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.006 0.922 . . . . 0.0 111.173 -179.376 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -69.29 -53.06 21.68 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 119.082 0.856 . . . . 0.0 110.995 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 23.0 t -87.34 51.19 2.16 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 126.049 1.74 . . . . 0.0 108.47 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.61 -65.29 2.7 Favored Glycine 0 CA--C 1.528 0.861 0 N-CA-C 106.267 -2.733 . . . . 0.0 106.267 178.15 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -87.23 151.4 8.04 Favored 'Trans proline' 0 CA--C 1.54 0.797 0 C-N-CA 123.889 3.06 . . . . 0.0 111.194 178.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 59.5 p -155.86 177.72 11.09 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 124.449 1.1 . . . . 0.0 109.843 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 69.0 m -78.52 -13.5 59.8 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 120.801 -1.187 . . . . 0.0 110.112 177.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.222 0 N-CA-C 107.622 -2.191 . . . . 0.0 107.622 -179.146 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.908 0 N-CA-C 109.968 -1.253 . . . . 0.0 109.968 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.8 m -148.72 159.55 44.02 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 118.589 1.195 . . . . 0.0 111.432 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.2 m -114.55 -173.09 2.23 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 128.243 2.617 . . . . 0.0 105.99 177.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.91 87.68 0.26 Allowed Glycine 0 C--N 1.331 0.277 0 N-CA-C 109.995 -1.242 . . . . 0.0 109.995 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.4 p -154.21 -135.01 0.05 OUTLIER 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 p -69.91 -179.37 1.84 Allowed 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 127.292 2.237 . . . . 0.0 111.288 179.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.79 -161.6 27.08 Favored Glycine 0 CA--C 1.527 0.829 0 C-N-CA 124.778 1.18 . . . . 0.0 112.162 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 62.1 m-20 -51.03 156.21 1.08 Allowed 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.194 1.398 . . . . 0.0 111.199 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.0 t -116.03 -52.73 4.62 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 C-N-CA 123.183 0.593 . . . . 0.0 110.814 -179.124 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -57.14 -41.11 78.51 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 119.613 1.097 . . . . 0.0 112.131 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.3 -34.76 77.21 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 122.895 0.478 . . . . 0.0 110.46 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -72.42 -40.1 67.37 Favored 'General case' 0 CA--C 1.516 -0.337 0 O-C-N 121.615 -0.678 . . . . 0.0 109.479 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 79.1 mt -60.48 -50.02 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 106.53 -1.655 . . . . 0.0 106.53 178.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.97 -40.27 69.84 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 122.691 0.396 . . . . 0.0 109.979 179.024 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.8 tptt -57.79 -60.98 2.87 Favored 'General case' 0 C--N 1.341 0.219 0 C-N-CA 124.57 1.148 . . . . 0.0 110.951 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.459 HD12 HD12 ' A' ' 44' ' ' LEU . 4.4 mm? -63.28 -34.46 77.72 Favored 'General case' 0 C--O 1.226 -0.141 0 CA-C-N 118.377 0.535 . . . . 0.0 111.249 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 91.0 mtp -61.02 -32.58 72.18 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 107.629 -1.248 . . . . 0.0 107.629 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.08 -10.26 64.97 Favored Glycine 0 CA--C 1.532 1.098 0 C-N-CA 125.607 1.575 . . . . 0.0 112.405 178.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -86.61 -11.43 51.45 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 118.796 1.298 . . . . 0.0 109.231 178.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.3 23.15 8.63 Favored Glycine 0 C--N 1.34 0.763 0 CA-C-O 118.274 -1.292 . . . . 0.0 113.763 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -106.23 154.36 20.83 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 119.363 1.582 . . . . 0.0 111.77 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.07 145.08 38.11 Favored 'General case' 0 C--N 1.343 0.301 0 C-N-CA 123.623 0.769 . . . . 0.0 111.431 -178.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -53.17 -40.02 64.02 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -178.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -64.99 -17.08 64.12 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -97.05 -34.4 11.18 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 124.744 1.218 . . . . 0.0 108.24 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 68.0 t -67.54 -56.58 12.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 C-N-CA 124.285 1.034 . . . . 0.0 112.336 -178.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.1 ttpt -56.1 -34.46 66.05 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 118.531 0.605 . . . . 0.0 109.684 -179.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -67.23 -47.95 69.26 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 124.859 1.264 . . . . 0.0 109.1 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.17 -44.72 94.8 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 118.307 0.503 . . . . 0.0 110.517 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.47 -22.61 64.56 Favored 'General case' 0 C--N 1.341 0.2 0 CA-C-O 118.169 -0.919 . . . . 0.0 111.51 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -71.75 -55.88 6.81 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 107.035 -1.469 . . . . 0.0 107.035 177.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.5 mt -58.18 -51.01 76.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 C-N-CA 124.784 1.233 . . . . 0.0 109.613 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.54 7.67 0.44 Allowed 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 126.433 1.893 . . . . 0.0 114.531 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 50.24 49.79 19.88 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 122.603 1.192 . . . . 0.0 110.352 -179.294 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.3 m120 56.81 31.84 20.25 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 128.732 2.813 . . . . 0.0 113.782 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -109.25 118.75 37.53 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 120.669 1.577 . . . . 0.0 110.515 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.4 t -62.76 -41.73 93.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 123.903 0.881 . . . . 0.0 112.126 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -62.17 -30.26 70.93 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -177.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.68 HG11 HG11 ' B' ' 39' ' ' VAL . 60.8 t -86.78 -47.7 15.97 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 C-N-CA 124.448 1.099 . . . . 0.0 109.1 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.61 -32.41 58.78 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.61 1.164 . . . . 0.0 111.479 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 31.9 mtt-85 -54.94 -43.98 73.89 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.186 0.994 . . . . 0.0 110.51 178.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.8 m -71.19 -37.96 72.12 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 118.075 -0.964 . . . . 0.0 111.758 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.7 mt -56.96 -44.31 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-O 122.371 1.081 . . . . 0.0 109.137 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.459 HD12 HD12 ' A' ' 16' ' ' LEU . 79.4 mt -69.97 -22.67 63.13 Favored 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 120.998 -1.064 . . . . 0.0 112.903 -178.68 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 35.9 mtp-105 -72.25 -35.81 68.9 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 119.57 1.077 . . . . 0.0 108.729 178.265 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -77.89 -33.48 51.97 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-O 118.956 -0.545 . . . . 0.0 111.426 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -83.49 -52.22 6.68 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 119.383 0.992 . . . . 0.0 113.1 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.47 -9.28 58.51 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 -178.086 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 64.04 176.95 4.61 Favored Glycine 0 CA--C 1.53 1.007 0 C-N-CA 123.703 0.668 . . . . 0.0 112.423 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -72.82 122.58 8.29 Favored 'Trans proline' 0 N--CA 1.452 -0.921 0 N-CA-C 105.934 -2.371 . . . . 0.0 105.934 178.272 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 t -126.52 176.16 7.38 Favored 'General case' 0 C--O 1.239 0.509 0 C-N-CA 123.696 0.799 . . . . 0.0 110.301 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.2 m -122.13 164.59 17.5 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 124.513 1.125 . . . . 0.0 109.71 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.126 0 CA-C-O 116.631 -2.205 . . . . 0.0 110.321 -179.919 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.823 0 N-CA-C 109.242 -1.543 . . . . 0.0 109.242 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -148.2 135.57 20.51 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 106.007 -1.849 . . . . 0.0 106.007 178.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 48.9 m -71.88 171.29 12.0 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 178.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.37 47.19 1.07 Allowed Glycine 0 CA--C 1.521 0.41 0 CA-C-O 118.218 -1.323 . . . . 0.0 111.666 -178.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 67.0 p -117.31 -77.03 0.57 Allowed 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 118.028 0.914 . . . . 0.0 110.749 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 79.0 p -133.19 174.39 10.43 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 124.411 1.085 . . . . 0.0 112.035 -179.449 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.72 -164.36 35.16 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 127.333 2.397 . . . . 0.0 108.998 -179.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -72.44 173.95 8.08 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 178.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 17.9 t -115.65 -42.9 3.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-N 119.849 1.204 . . . . 0.0 112.102 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -59.58 -44.83 93.2 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 121.105 -0.997 . . . . 0.0 110.776 -179.113 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.62 -19.81 58.96 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.369 0.667 . . . . 0.0 111.921 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -91.13 -39.96 11.86 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.391 1.077 . . . . 0.0 109.128 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 73.6 mt -59.81 -52.13 64.73 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 N-CA-C 105.192 -2.151 . . . . 0.0 105.192 178.039 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.41 -15.27 57.1 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.627 0.771 . . . . 0.0 112.868 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 34.3 tptt -78.96 -62.03 1.83 Allowed 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 178.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.412 HD12 HD12 ' B' ' 44' ' ' LEU . 4.1 mm? -60.22 -36.71 78.31 Favored 'General case' 0 C--O 1.226 -0.135 0 C-N-CA 124.698 1.199 . . . . 0.0 111.831 -178.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 89.4 mtp -59.89 -23.52 63.53 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 119.421 1.01 . . . . 0.0 112.771 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -77.5 -19.54 76.09 Favored Glycine 0 CA--C 1.526 0.773 0 CA-C-O 119.236 -0.758 . . . . 0.0 111.464 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -73.66 -4.43 34.24 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 118.592 1.196 . . . . 0.0 111.526 179.065 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.49 -17.14 21.36 Favored Glycine 0 CA--C 1.523 0.564 0 C-N-CA 127.309 2.385 . . . . 0.0 115.824 177.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -68.06 146.89 53.07 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 -177.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.65 155.92 37.26 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 125.733 1.613 . . . . 0.0 111.88 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -57.0 -41.88 79.28 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 123.843 0.857 . . . . 0.0 111.329 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -63.76 -23.72 67.48 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.275 0.63 . . . . 0.0 111.781 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -91.85 -41.79 10.43 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.146 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 85.7 t -64.99 -54.94 23.57 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.23 0 O-C-N 120.986 -1.071 . . . . 0.0 113.287 -178.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt -56.13 -34.2 65.89 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 119.98 -0.688 . . . . 0.0 110.275 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -64.9 -55.39 19.6 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 107.278 -1.378 . . . . 0.0 107.278 178.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.12 -47.93 68.25 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.355 1.062 . . . . 0.0 111.446 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.47 -36.61 84.33 Favored 'General case' 0 C--O 1.225 -0.229 0 CA-C-O 117.994 -1.003 . . . . 0.0 111.312 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -62.7 -47.95 81.4 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 120.031 1.287 . . . . 0.0 110.094 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 18.7 mt -63.86 -44.19 98.03 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 124.592 1.157 . . . . 0.0 109.907 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.408 ' HA ' HG13 ' A' ' 39' ' ' VAL . . . -72.62 10.26 0.89 Allowed 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.22 1.808 . . . . 0.0 114.285 -179.386 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 52.77 42.5 31.82 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 120.923 1.692 . . . . 0.0 108.888 -177.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 28.1 m120 59.95 17.83 6.98 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 129.377 3.071 . . . . 0.0 112.066 -178.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 42.7 t-20 -89.46 118.76 29.34 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 121.915 2.143 . . . . 0.0 112.133 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 25.4 t -58.77 -44.02 89.27 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 C-N-CA 125.185 1.394 . . . . 0.0 110.632 179.2 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -53.28 -43.4 67.45 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 124.479 1.112 . . . . 0.0 110.797 -178.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.68 HG11 HG11 ' A' ' 39' ' ' VAL . 39.2 t -83.37 -38.52 14.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-O 118.843 -0.599 . . . . 0.0 110.835 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.4 ' HA ' HD12 ' B' ' 43' ' ' ILE . . . -54.2 -29.23 45.29 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 119.316 0.962 . . . . 0.0 111.483 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 32.7 mtt180 -60.13 -47.29 86.53 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-O 118.788 -0.625 . . . . 0.0 109.665 178.066 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 4.9 m -59.45 -32.85 70.6 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.648 1.179 . . . . 0.0 112.286 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.4 HD12 ' HA ' ' B' ' 40' ' ' ALA . 60.7 mt -73.36 -51.44 25.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 125.72 1.608 . . . . 0.0 109.23 -179.127 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.412 HD12 HD12 ' B' ' 16' ' ' LEU . 20.1 mt -63.83 -29.0 70.24 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 120.705 -1.247 . . . . 0.0 109.941 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.68 -23.92 67.41 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 117.557 -1.211 . . . . 0.0 110.224 177.727 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -94.96 -47.93 6.21 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 119.981 1.264 . . . . 0.0 110.829 178.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -63.09 -50.61 69.89 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 -178.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 8.0 t -93.01 -36.38 12.76 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 123.315 0.646 . . . . 0.0 111.889 -178.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.9 -165.91 51.45 Favored Glycine 0 CA--C 1.537 1.428 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 -178.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -64.79 165.02 22.26 Favored 'Trans proline' 0 CA--C 1.539 0.77 0 C-N-CA 123.411 2.741 . . . . 0.0 111.8 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 2.9 t -157.94 -173.48 4.38 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.244 1.018 . . . . 0.0 109.188 179.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 42.0 m -139.78 102.44 4.43 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 126.062 1.745 . . . . 0.0 108.896 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.299 0 CA-C-O 117.391 -1.783 . . . . 0.0 110.487 179.838 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.643 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.5 m -133.4 174.58 10.26 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 126.222 1.809 . . . . 0.0 107.563 178.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.9 m -139.02 -168.55 2.45 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.039 1.336 . . . . 0.0 108.671 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.77 -17.06 52.49 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 120.094 -1.628 . . . . 0.0 114.03 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.1 m -143.99 158.32 43.78 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 130.618 3.567 . . . . 0.0 103.804 178.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.4 t -160.21 -160.27 0.77 Allowed 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 119.48 1.036 . . . . 0.0 109.903 -177.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.77 -94.3 1.1 Allowed Glycine 0 CA--C 1.528 0.871 0 C-N-CA 126.824 2.154 . . . . 0.0 108.796 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -20.01 96.28 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 129.51 3.124 . . . . 0.0 113.429 -179.162 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.7 p -80.78 -37.98 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 CA-C-N 118.583 0.629 . . . . 0.0 111.939 -179.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -56.03 -37.77 69.66 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 121.381 -0.824 . . . . 0.0 111.9 -178.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.22 -45.82 89.89 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.3 mttp -62.06 -40.87 97.25 Favored 'General case' 0 C--O 1.225 -0.205 0 C-N-CA 124.231 1.012 . . . . 0.0 110.457 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 89.0 mt -59.33 -55.77 21.52 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.26 -38.62 66.01 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 122.343 -0.223 . . . . 0.0 111.581 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.5 tttm -55.38 -63.35 1.19 Allowed 'General case' 0 C--N 1.343 0.321 0 C-N-CA 124.656 1.183 . . . . 0.0 110.579 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.39 -34.28 76.41 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 118.024 -0.989 . . . . 0.0 112.887 -179.074 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 98.2 mtp -57.63 -25.66 60.44 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 119.66 1.118 . . . . 0.0 110.052 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.07 -15.66 72.18 Favored Glycine 0 CA--C 1.53 1.029 0 C-N-CA 125.099 1.333 . . . . 0.0 113.139 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -85.45 -10.03 56.7 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.359 1.579 . . . . 0.0 111.624 178.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.69 55.26 0.79 Allowed Glycine 0 C--N 1.337 0.587 0 C-N-CA 123.711 0.672 . . . . 0.0 111.796 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -139.97 147.03 39.89 Favored 'General case' 0 C--O 1.242 0.682 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 178.159 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.15 161.1 27.61 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 124.035 0.934 . . . . 0.0 111.365 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -52.03 -47.94 64.77 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 125.111 1.365 . . . . 0.0 112.872 -179.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -61.13 -47.1 87.8 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -178.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -57.59 -49.38 76.61 Favored 'General case' 0 CA--C 1.52 -0.201 0 C-N-CA 125.376 1.47 . . . . 0.0 110.059 -178.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.1 t -63.48 -46.92 93.87 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 C-N-CA 123.642 0.777 . . . . 0.0 110.105 -179.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.6 mtpt -56.9 -41.52 78.23 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 178.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -64.16 -47.89 78.09 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.08 -46.64 88.89 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 118.588 -0.72 . . . . 0.0 111.261 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -63.02 -33.0 74.49 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 120.418 1.463 . . . . 0.0 110.319 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -64.92 -49.09 71.78 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 119.814 1.188 . . . . 0.0 108.823 178.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.4 mt -69.86 -32.89 53.48 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 C-N-CA 125.105 1.362 . . . . 0.0 111.545 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.25 13.75 4.03 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 127.592 2.357 . . . . 0.0 114.844 -178.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.461 ' HG3' HG22 ' B' ' 39' ' ' VAL . 6.5 mm100 54.69 38.74 30.57 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 120.75 1.614 . . . . 0.0 110.118 -178.178 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.2 t30 56.35 39.42 30.11 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.39 1.876 . . . . 0.0 111.783 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -117.64 120.66 38.7 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 125.04 1.336 . . . . 0.0 111.938 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.5 t -61.42 -43.81 97.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 C-N-CA 124.259 1.024 . . . . 0.0 111.204 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -56.71 -28.39 60.87 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 124.57 1.148 . . . . 0.0 112.547 -177.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.754 HG11 HG11 ' B' ' 39' ' ' VAL . 45.8 t -98.63 -42.75 11.34 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.402 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.409 ' HA ' HD12 ' A' ' 43' ' ' ILE . . . -52.8 -34.88 55.65 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 118.978 0.808 . . . . 0.0 110.749 179.608 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -55.17 -53.2 58.93 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 125.706 1.602 . . . . 0.0 109.221 178.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.4 m -68.48 -25.88 65.2 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.126 0.97 . . . . 0.0 113.159 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.409 HD12 ' HA ' ' A' ' 40' ' ' ALA . 91.0 mt -67.4 -58.5 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 N-CA-C 106.589 -1.634 . . . . 0.0 106.589 178.668 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.3 mt -55.58 -36.03 66.43 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 125.31 1.444 . . . . 0.0 110.167 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.43 -38.58 74.61 Favored 'General case' 0 CA--C 1.527 0.095 0 CA-C-O 119.127 -0.463 . . . . 0.0 111.334 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -100.23 -21.79 15.37 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 118.405 -0.807 . . . . 0.0 112.787 -179.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -73.94 -52.65 12.19 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 120.093 1.315 . . . . 0.0 107.642 178.725 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.82 -34.68 57.89 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 124.362 1.065 . . . . 0.0 108.892 179.418 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.18 -160.14 52.71 Favored Glycine 0 CA--C 1.534 1.254 0 N-CA-C 109.992 -1.243 . . . . 0.0 109.992 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -70.33 167.92 23.78 Favored 'Trans proline' 0 CA--C 1.538 0.706 0 C-N-CA 123.021 2.481 . . . . 0.0 109.186 178.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 69.5 m -158.01 161.18 38.08 Favored 'General case' 0 C--O 1.235 0.305 0 O-C-N 120.662 -1.274 . . . . 0.0 110.798 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.9 m -68.36 175.31 3.41 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 124.213 1.005 . . . . 0.0 112.431 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.758 0 N-CA-C 107.168 -2.373 . . . . 0.0 107.168 179.322 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.973 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 73.7 m -137.93 170.4 16.11 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 124.62 1.168 . . . . 0.0 110.302 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 70.8 m -135.96 179.62 6.23 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 125.561 1.544 . . . . 0.0 109.024 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.91 -94.91 2.03 Favored Glycine 0 N--CA 1.449 -0.44 0 N-CA-C 110.338 -1.105 . . . . 0.0 110.338 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 24.1 m -84.09 155.48 22.63 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 117.881 0.841 . . . . 0.0 111.304 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 3.3 t -152.59 171.78 17.62 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.525 1.53 . . . . 0.0 107.776 178.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.97 -46.08 4.0 Favored Glycine 0 CA--C 1.525 0.673 0 CA-C-O 118.892 -0.949 . . . . 0.0 115.099 -178.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -60.98 137.13 58.25 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 118.896 1.348 . . . . 0.0 112.309 -178.14 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 7.7 p -112.07 -47.62 5.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 C-N-CA 124.17 0.988 . . . . 0.0 113.147 -179.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -54.12 -37.43 64.33 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 120.779 -1.201 . . . . 0.0 113.713 -178.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.0 -25.58 66.99 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.483 0.713 . . . . 0.0 112.198 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 20.0 mttp -83.59 -39.71 19.99 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 178.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 91.3 mt -58.31 -53.69 42.84 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 N-CA-C 106.917 -1.512 . . . . 0.0 106.917 178.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.58 -33.12 63.63 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 123.147 0.579 . . . . 0.0 112.32 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -64.55 -64.62 0.83 Allowed 'General case' 0 C--N 1.341 0.211 0 C-N-CA 124.537 1.135 . . . . 0.0 108.834 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.37 -37.39 75.14 Favored 'General case' 0 C--N 1.341 0.228 0 CA-C-N 118.634 0.652 . . . . 0.0 111.296 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 80.4 mtp -59.91 -25.74 65.37 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 119.197 0.908 . . . . 0.0 110.004 178.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -82.05 -7.68 87.53 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 124.606 1.098 . . . . 0.0 112.542 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -92.25 -3.53 55.37 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.416 -1.049 . . . . 0.0 110.965 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.78 62.53 1.07 Allowed Glycine 0 C--N 1.341 0.844 0 C-N-CA 124.652 1.12 . . . . 0.0 113.747 178.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -146.76 148.06 31.56 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 125.334 1.454 . . . . 0.0 108.307 178.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.5 156.08 39.4 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-O 120.976 0.417 . . . . 0.0 111.432 -178.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -55.77 -42.04 74.92 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -178.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -68.83 -34.34 75.33 Favored 'General case' 0 CA--C 1.528 0.121 0 CA-C-N 118.808 0.731 . . . . 0.0 111.251 -178.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -67.11 -44.6 79.52 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 123.809 0.844 . . . . 0.0 109.037 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 84.3 t -62.24 -53.85 42.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 124.157 0.983 . . . . 0.0 111.141 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -56.15 -38.42 70.83 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 118.136 0.425 . . . . 0.0 110.655 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -64.18 -53.61 46.66 Favored 'General case' 0 CA--C 1.52 -0.179 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.3 -45.58 84.03 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 123.711 0.804 . . . . 0.0 112.129 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.15 -39.34 89.75 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-O 117.213 -1.375 . . . . 0.0 110.4 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -57.65 -51.58 68.92 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 119.78 1.173 . . . . 0.0 109.333 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 66.5 mt -61.8 -47.46 93.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 C-N-CA 125.117 1.367 . . . . 0.0 109.467 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.79 9.76 0.25 Allowed 'General case' 0 C--O 1.234 0.285 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 -179.053 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' GLN . . . . . 0.447 ' HG3' HG22 ' A' ' 39' ' ' VAL . 3.6 mm100 55.65 42.44 29.44 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 120.297 1.408 . . . . 0.0 108.215 -178.273 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 58.6 t30 44.71 55.03 6.21 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 128.76 2.824 . . . . 0.0 111.87 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 -128.15 117.73 22.11 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.872 1.669 . . . . 0.0 108.518 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 84.0 t -63.58 -36.04 74.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 O-C-N 121.189 -0.945 . . . . 0.0 110.578 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -56.27 -31.18 63.37 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 124.574 1.15 . . . . 0.0 111.629 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.754 HG11 HG11 ' A' ' 39' ' ' VAL . 49.2 t -99.11 -41.62 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.692 0 C-N-CA 124.018 0.927 . . . . 0.0 110.559 -178.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.65 -33.25 68.11 Favored 'General case' 0 N--CA 1.463 0.214 0 O-C-N 121.247 -0.908 . . . . 0.0 111.7 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 15.5 ttm180 -58.77 -42.16 88.28 Favored 'General case' 0 C--N 1.341 0.231 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 46.9 m -71.22 -33.31 69.76 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.639 -0.663 . . . . 0.0 111.091 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 55.9 mt -63.81 -57.84 9.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 29.5 mt -57.82 -34.48 69.71 Favored 'General case' 0 C--O 1.231 0.1 0 C-N-CA 123.301 0.641 . . . . 0.0 111.203 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -58.45 -48.17 81.59 Favored 'General case' 0 C--O 1.226 -0.169 0 C-N-CA 122.957 0.503 . . . . 0.0 109.875 179.052 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -80.24 -30.59 38.53 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -179.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -69.57 -53.03 20.88 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-N 119.064 0.847 . . . . 0.0 111.407 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 23.3 t -86.92 -28.99 22.44 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 118.378 -0.82 . . . . 0.0 112.742 -178.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.36 -159.98 32.77 Favored Glycine 0 CA--C 1.535 1.285 0 N-CA-C 109.825 -1.31 . . . . 0.0 109.825 -178.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -69.87 167.59 24.16 Favored 'Trans proline' 0 N--CA 1.455 -0.776 0 C-N-CA 121.805 1.67 . . . . 0.0 108.859 178.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 53.2 m -149.0 141.74 24.54 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 107.297 -1.372 . . . . 0.0 107.297 179.145 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 73.9 m -56.46 149.12 17.64 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 122.077 0.941 . . . . 0.0 112.846 -179.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.502 -0.78 0 N-CA-C 103.411 -3.876 . . . . 0.0 103.411 179.815 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.793 0 N-CA-C 112.138 -0.385 . . . . 0.0 112.138 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.12 -43.89 64.02 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.826 0.85 . . . . 0.0 110.293 179.477 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 p -81.26 161.85 23.76 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.628 0.771 . . . . 0.0 111.042 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.97 -167.66 12.77 Favored Glycine 0 CA--C 1.53 1.022 0 C-N-CA 126.351 1.929 . . . . 0.0 109.704 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 p -72.48 -8.27 54.25 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 117.673 0.737 . . . . 0.0 112.447 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 p -111.97 154.14 25.73 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.301 1.84 . . . . 0.0 109.075 179.118 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.32 166.32 10.58 Favored Glycine 0 CA--C 1.526 0.758 0 C-N-CA 124.759 1.171 . . . . 0.0 111.685 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -57.41 149.97 19.52 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.219 1.008 . . . . 0.0 110.028 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.7 t -79.24 -52.09 15.66 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 C-N-CA 127.696 2.398 . . . . 0.0 111.34 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -56.46 -35.32 67.79 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 124.42 1.088 . . . . 0.0 113.928 -177.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.15 -25.34 67.7 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 122.343 0.257 . . . . 0.0 110.464 178.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 42.1 mttp -77.64 -44.84 26.87 Favored 'General case' 0 CA--C 1.518 -0.261 0 C-N-CA 124.094 0.957 . . . . 0.0 108.631 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 94.7 mt -54.45 -59.07 2.44 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.33 -38.88 66.51 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 112.4 0.518 . . . . 0.0 112.4 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.6 tttt -57.14 -53.75 54.56 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 121.51 -0.744 . . . . 0.0 110.725 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -71.07 -34.67 71.41 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 118.463 -0.779 . . . . 0.0 111.028 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 92.2 mtp -59.9 -33.92 72.49 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 120.017 1.281 . . . . 0.0 109.404 178.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.07 -25.93 60.41 Favored Glycine 0 CA--C 1.53 1.009 0 CA-C-O 119.395 -0.669 . . . . 0.0 111.72 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -63.79 -25.41 68.17 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 119.243 1.521 . . . . 0.0 110.955 178.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 122.69 -5.29 9.89 Favored Glycine 0 CA--C 1.529 0.963 0 C-N-CA 125.654 1.597 . . . . 0.0 111.434 -178.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -73.36 155.8 39.01 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 118.914 1.357 . . . . 0.0 110.789 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.91 162.82 16.69 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.974 0.909 . . . . 0.0 111.775 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -57.95 -41.97 83.93 Favored 'General case' 0 C--O 1.238 0.461 0 O-C-N 121.217 -0.927 . . . . 0.0 112.307 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -60.87 -21.49 63.34 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.692 0.797 . . . . 0.0 112.26 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -91.41 -50.84 5.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 122.422 1.106 . . . . 0.0 110.077 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 94.3 t -62.43 -56.63 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 C-N-CA 125.175 1.39 . . . . 0.0 114.119 -177.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -56.5 -32.62 65.2 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 118.531 0.605 . . . . 0.0 111.264 -178.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 27.8 tpt180 -72.28 -54.72 8.71 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.86 -41.54 70.92 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.394 0.678 . . . . 0.0 111.611 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -63.06 -37.98 89.37 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-O 116.859 -1.543 . . . . 0.0 109.636 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -66.05 -49.38 67.86 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 120.791 1.632 . . . . 0.0 110.48 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 68.0 mt -56.63 -40.15 67.44 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.77 7.46 4.68 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.932 1.693 . . . . 0.0 113.344 179.158 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 54.4 46.44 25.04 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 120.847 1.658 . . . . 0.0 108.774 -177.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 31.4 m120 53.91 35.38 21.67 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 128.738 2.815 . . . . 0.0 111.366 -178.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -102.38 117.01 33.81 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 178.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.2 t -60.46 -48.23 89.28 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-O 118.876 -0.583 . . . . 0.0 112.461 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -55.54 -52.6 63.18 Favored 'General case' 0 C--N 1.332 -0.162 0 O-C-N 123.557 0.536 . . . . 0.0 110.073 -177.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.716 HG11 HG11 ' B' ' 39' ' ' VAL . 59.7 t -64.63 -39.62 86.25 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 CA-C-O 119.048 -0.501 . . . . 0.0 110.222 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.86 -31.82 65.19 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 119.001 0.819 . . . . 0.0 110.617 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -56.97 -51.86 67.52 Favored 'General case' 0 C--N 1.345 0.376 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 178.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.6 m -60.84 -33.65 73.37 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.942 1.297 . . . . 0.0 112.597 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 60.1 mt -70.87 -49.35 50.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 C-N-CA 125.01 1.324 . . . . 0.0 109.112 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 18.0 mt -63.12 -31.98 73.26 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.481 0.712 . . . . 0.0 109.109 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 -65.98 -19.1 65.75 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-O 117.957 -1.021 . . . . 0.0 111.078 178.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -98.04 -41.89 7.75 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 119.802 1.183 . . . . 0.0 110.21 178.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -69.05 -34.35 75.04 Favored 'General case' 0 C--N 1.34 0.167 0 O-C-N 123.7 0.625 . . . . 0.0 110.835 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.7 t -113.41 -70.57 0.8 Allowed 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 124.133 0.973 . . . . 0.0 110.883 -179.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 128.89 -161.04 22.49 Favored Glycine 0 CA--C 1.528 0.853 0 CA-C-N 119.53 1.059 . . . . 0.0 110.904 -179.189 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -70.62 165.49 31.78 Favored 'Trans proline' 0 CA--C 1.534 0.501 0 C-N-CA 123.148 2.565 . . . . 0.0 110.306 178.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.0 m -99.82 172.26 7.36 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.32 1.048 . . . . 0.0 110.167 179.223 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 p -146.7 150.83 36.16 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 125.916 1.686 . . . . 0.0 107.69 178.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.13 0 N-CA-C 109.551 -1.419 . . . . 0.0 109.551 -179.614 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.982 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.4 p -73.4 -28.44 62.01 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 124.093 0.957 . . . . 0.0 111.236 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 93.3 p -116.09 179.69 3.92 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 126.103 1.761 . . . . 0.0 108.195 178.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.52 -176.03 46.17 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 52.6 p -76.9 39.49 0.23 Allowed 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.56 1.544 . . . . 0.0 111.642 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 1.2 p -155.42 127.9 7.85 Favored 'General case' 0 N--CA 1.453 -0.3 0 O-C-N 119.97 -1.706 . . . . 0.0 108.186 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.47 -179.93 17.59 Favored Glycine 0 CA--C 1.525 0.718 0 C-N-CA 125.12 1.343 . . . . 0.0 110.119 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -55.89 144.03 29.57 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 124.261 1.024 . . . . 0.0 112.143 -178.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 81.8 t -77.65 -45.24 28.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 178.443 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -50.2 -46.33 54.39 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 126.205 1.802 . . . . 0.0 112.012 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.1 -19.96 55.92 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.108 0.963 . . . . 0.0 112.181 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 45.3 mttp -90.35 -41.67 11.37 Favored 'General case' 0 CA--C 1.52 -0.191 0 C-N-CA 125.108 1.363 . . . . 0.0 108.609 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 14.0 mt -54.66 -59.02 2.57 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 178.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.0 -38.81 76.82 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 122.13 -0.356 . . . . 0.0 111.475 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -59.25 -55.13 38.79 Favored 'General case' 0 C--N 1.339 0.129 0 O-C-N 121.409 -0.807 . . . . 0.0 110.022 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -65.03 -38.13 89.88 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 117.955 -1.022 . . . . 0.0 111.5 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 84.0 mtp -56.07 -40.66 73.93 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 119.668 1.122 . . . . 0.0 108.708 178.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.22 -16.01 59.55 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 124.571 1.081 . . . . 0.0 113.742 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -77.59 -15.23 59.36 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.474 1.637 . . . . 0.0 108.543 178.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.55 54.05 0.7 Allowed Glycine 0 C--N 1.34 0.76 0 C-N-CA 125.523 1.535 . . . . 0.0 112.713 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -136.87 160.52 38.63 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 125.383 1.473 . . . . 0.0 109.344 178.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.04 149.66 23.86 Favored 'General case' 0 C--N 1.343 0.32 0 CA-C-N 119.105 0.866 . . . . 0.0 109.625 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -52.85 -44.13 66.54 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 125.127 1.371 . . . . 0.0 114.434 -178.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -64.15 -26.27 68.45 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -177.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -84.36 -45.8 12.4 Favored 'General case' 0 C--O 1.226 -0.16 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 53.1 t -58.77 -47.71 88.32 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 C-N-CA 124.51 1.124 . . . . 0.0 110.308 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 8.5 ttpt -56.88 -39.14 73.81 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 119.212 -0.423 . . . . 0.0 109.882 179.218 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 -67.77 -49.7 61.03 Favored 'General case' 0 C--N 1.341 0.197 0 C-N-CA 123.844 0.857 . . . . 0.0 108.81 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.35 -44.4 72.14 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.594 1.157 . . . . 0.0 112.396 -178.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -70.66 -26.64 63.54 Favored 'General case' 0 N--CA 1.456 -0.128 0 CA-C-O 117.995 -1.002 . . . . 0.0 112.586 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -68.7 -51.35 42.56 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 106.143 -1.799 . . . . 0.0 106.143 178.199 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 68.5 mt -58.54 -49.32 82.77 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 C-N-CA 125.015 1.326 . . . . 0.0 108.768 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.2 3.59 1.16 Allowed 'General case' 0 C--O 1.235 0.298 0 C-N-CA 125.438 1.495 . . . . 0.0 114.233 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 51.89 44.99 28.98 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 122.93 1.347 . . . . 0.0 108.56 -178.031 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 8.8 m120 59.2 21.29 9.39 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 130.584 3.554 . . . . 0.0 113.436 -179.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -91.73 111.43 22.95 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 121.521 1.964 . . . . 0.0 110.431 179.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 22.0 t -53.85 -46.27 63.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 C-N-CA 124.372 1.069 . . . . 0.0 111.332 179.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -54.83 -36.29 64.85 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.878 0.871 . . . . 0.0 112.401 -177.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.716 HG11 HG11 ' A' ' 39' ' ' VAL . 41.5 t -84.37 -41.27 16.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 C-N-CA 123.406 0.682 . . . . 0.0 109.946 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.3 -33.32 63.17 Favored 'General case' 0 CA--C 1.531 0.233 0 O-C-N 121.734 -0.603 . . . . 0.0 112.41 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 35.9 mtp-105 -60.3 -44.99 94.91 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 118.654 -0.689 . . . . 0.0 109.624 179.02 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 51.3 m -70.5 -31.68 68.88 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 118.546 0.612 . . . . 0.0 110.539 179.253 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 62.1 mt -62.88 -54.93 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-N 119.571 1.078 . . . . 0.0 108.622 178.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 18.6 mt -60.77 -28.33 68.65 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 124.297 1.039 . . . . 0.0 110.767 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -67.5 -18.19 64.96 Favored 'General case' 0 N--CA 1.464 0.25 0 O-C-N 121.67 -0.644 . . . . 0.0 112.105 179.117 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -97.98 -37.67 9.69 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 178.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -67.39 -52.21 42.71 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.591 0.632 . . . . 0.0 109.742 178.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 41.9 t -89.02 -76.94 0.39 Allowed 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.842 1.257 . . . . 0.0 110.009 -179.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 131.46 -156.19 21.72 Favored Glycine 0 CA--C 1.532 1.128 0 N-CA-C 108.008 -2.037 . . . . 0.0 108.008 -178.092 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -70.78 172.83 12.87 Favored 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 123.219 2.612 . . . . 0.0 111.484 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 21.4 m -100.31 156.7 17.09 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 124.997 1.319 . . . . 0.0 107.574 178.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 4.4 p -141.84 76.04 1.52 Allowed 'General case' 0 C--O 1.235 0.321 0 CA-C-N 119.462 1.028 . . . . 0.0 110.635 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 N-CA-C 105.968 -2.853 . . . . 0.0 105.968 179.239 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.629 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.6 m -146.49 139.0 25.16 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 106.25 -1.759 . . . . 0.0 106.25 179.051 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.0 p -124.03 115.54 21.37 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 107.54 -1.282 . . . . 0.0 107.54 179.117 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.61 -51.6 57.92 Favored Glycine 0 CA--C 1.527 0.833 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.7 t -152.27 -176.53 5.72 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 125.069 1.347 . . . . 0.0 110.202 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 p -134.01 -4.52 2.78 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 127.604 2.361 . . . . 0.0 111.03 179.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.27 -23.54 4.59 Favored Glycine 0 CA--C 1.528 0.845 0 CA-C-O 117.819 -1.545 . . . . 0.0 116.51 178.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -75.51 138.31 41.47 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 120.019 1.909 . . . . 0.0 108.62 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.6 p -116.15 -35.17 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-N 120.119 1.327 . . . . 0.0 110.134 178.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -62.86 -34.7 77.9 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 120.157 -1.59 . . . . 0.0 111.188 -179.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.6 -15.21 62.73 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.537 1.135 . . . . 0.0 111.543 178.211 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 41.9 mttp -94.56 -43.06 8.5 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 125.455 1.502 . . . . 0.0 109.183 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.0 mt -57.16 -58.18 6.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.2 -27.31 63.77 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.7 tttp -70.06 -57.29 5.14 Favored 'General case' 0 C--O 1.225 -0.22 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 179.171 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.07 -36.96 78.5 Favored 'General case' 0 C--O 1.224 -0.284 0 CA-C-O 118.179 -0.915 . . . . 0.0 111.483 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 83.3 mtp -56.59 -39.54 73.71 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 119.963 1.256 . . . . 0.0 108.394 178.278 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.25 -9.71 55.16 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 125.609 1.576 . . . . 0.0 113.948 179.081 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -89.6 0.33 57.01 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 118.913 1.356 . . . . 0.0 108.482 177.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.61 53.2 1.86 Allowed Glycine 0 C--N 1.34 0.79 0 C-N-CA 126.75 2.119 . . . . 0.0 112.935 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -137.11 158.46 44.39 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 118.126 0.963 . . . . 0.0 110.099 179.238 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.65 149.02 23.74 Favored 'General case' 0 C--N 1.338 0.096 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -50.06 -39.19 41.35 Favored 'General case' 0 C--O 1.224 -0.274 0 C-N-CA 124.516 1.127 . . . . 0.0 112.358 -179.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -59.93 -48.43 81.72 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 124.227 1.011 . . . . 0.0 112.205 -178.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -71.02 -38.54 72.62 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 125.362 1.465 . . . . 0.0 109.277 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 67.5 t -65.68 -46.02 90.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 124.57 1.148 . . . . 0.0 110.423 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -58.99 -40.62 85.4 Favored 'General case' 0 CA--C 1.515 -0.379 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.421 ' HD2' ' HA ' ' A' ' 28' ' ' ARG . 27.3 tpt180 -66.85 -43.42 83.69 Favored 'General case' 0 N--CA 1.449 -0.493 0 O-C-N 124.195 0.934 . . . . 0.0 109.528 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.05 -49.87 75.97 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 123.298 0.639 . . . . 0.0 109.588 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -66.27 -26.75 67.49 Favored 'General case' 0 C--N 1.34 0.178 0 CA-C-O 117.838 -1.077 . . . . 0.0 111.161 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -69.13 -58.44 4.07 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 120.163 1.347 . . . . 0.0 107.611 178.49 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 65.4 mt -56.41 -44.89 81.3 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 124.67 1.188 . . . . 0.0 109.234 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.47 7.94 1.24 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.622 1.569 . . . . 0.0 114.553 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 51.43 44.37 29.01 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 120.827 1.649 . . . . 0.0 109.895 -178.327 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.3 m120 59.74 32.14 21.23 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 127.852 2.461 . . . . 0.0 112.709 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -102.94 115.56 30.84 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 120.209 1.368 . . . . 0.0 109.931 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.4 t -57.13 -45.2 84.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 C-N-CA 125.298 1.439 . . . . 0.0 111.877 179.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -56.34 -45.06 80.58 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 125.11 1.364 . . . . 0.0 111.757 -178.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.664 HG11 HG11 ' B' ' 39' ' ' VAL . 47.2 t -77.1 -42.17 31.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 C-N-CA 123.584 0.754 . . . . 0.0 110.263 -179.646 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.57 -38.01 52.36 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.784 0.834 . . . . 0.0 112.033 -179.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -56.08 -51.0 69.44 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 118.311 0.505 . . . . 0.0 110.773 178.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.5 m -62.92 -29.24 70.63 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.198 0.999 . . . . 0.0 112.305 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 44.5 mt -68.78 -52.02 39.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 N-CA-C 107.826 -1.175 . . . . 0.0 107.826 179.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.9 mt -62.29 -34.71 77.11 Favored 'General case' 0 CA--C 1.521 -0.155 0 C-N-CA 123.904 0.882 . . . . 0.0 109.735 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 -65.61 -30.01 70.67 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 118.164 0.438 . . . . 0.0 110.119 178.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -77.47 -46.3 22.94 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 118.923 0.783 . . . . 0.0 108.947 178.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -64.74 -48.39 74.76 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 118.877 -0.583 . . . . 0.0 112.361 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 45.1 t -88.71 -77.36 0.37 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.31 1.844 . . . . 0.0 110.654 -179.233 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.82 -168.4 54.79 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 123.591 0.615 . . . . 0.0 112.408 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -67.31 118.01 5.26 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 123.351 2.7 . . . . 0.0 109.124 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.4 m -140.32 41.66 1.91 Allowed 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.279 1.031 . . . . 0.0 111.559 -179.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 55.2 m 44.78 70.55 0.33 Allowed 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.405 1.482 . . . . 0.0 113.487 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.936 0 N-CA-C 103.293 -3.923 . . . . 0.0 103.293 179.361 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.435 0 N-CA-C 109.646 -1.382 . . . . 0.0 109.646 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 59.5 m -144.77 137.42 26.44 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 106.243 -1.762 . . . . 0.0 106.243 178.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.85 122.87 2.3 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 105.495 -2.039 . . . . 0.0 105.495 -179.644 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.1 -77.87 1.01 Allowed Glycine 0 CA--C 1.52 0.393 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 10.8 t -56.58 157.74 5.02 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 125.489 1.516 . . . . 0.0 112.155 -179.339 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 54.7 p -152.54 1.31 0.31 Allowed 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.28 -37.19 1.13 Allowed Glycine 0 CA--C 1.535 1.316 0 O-C-N 120.281 -1.512 . . . . 0.0 114.429 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -68.58 123.36 20.63 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 179.15 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 8.9 p -113.85 -32.79 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 119.451 1.023 . . . . 0.0 111.072 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.26 -43.02 96.52 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 120.046 1.294 . . . . 0.0 108.648 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.79 -18.39 65.04 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.663 0.785 . . . . 0.0 112.747 178.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -88.44 -44.63 10.59 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 107.089 -1.449 . . . . 0.0 107.089 178.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 60.3 mt -56.57 -51.99 58.89 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 N-CA-C 106.576 -1.639 . . . . 0.0 106.576 178.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.31 -17.08 40.34 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 179.38 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 42.7 tttp -82.03 -58.79 2.81 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 178.118 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.13 -36.02 76.56 Favored 'General case' 0 C--N 1.342 0.282 0 CA-C-N 119.448 1.022 . . . . 0.0 111.813 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 95.5 mtp -61.88 -26.05 67.92 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.075 0.852 . . . . 0.0 109.563 178.238 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.31 -20.92 79.52 Favored Glycine 0 C--N 1.336 0.531 0 C-N-CA 125.583 1.563 . . . . 0.0 111.403 178.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -72.27 -26.78 62.12 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.476 1.138 . . . . 0.0 108.598 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.21 -7.38 6.74 Favored Glycine 0 CA--C 1.53 0.993 0 CA-C-O 118.254 -1.304 . . . . 0.0 115.548 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -76.15 163.76 26.77 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 119.6 1.7 . . . . 0.0 112.872 -178.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.65 158.92 25.49 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.509 1.523 . . . . 0.0 110.388 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -56.87 -46.16 82.0 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.537 1.135 . . . . 0.0 113.458 -178.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -61.99 -46.74 87.92 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 118.827 0.74 . . . . 0.0 111.782 -178.191 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -56.91 -46.62 81.84 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 125.933 1.693 . . . . 0.0 110.511 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 75.8 t -64.88 -52.26 56.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 C-N-CA 123.859 0.863 . . . . 0.0 110.7 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 4.3 mtpt -56.87 -36.78 70.46 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.35 -179.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -65.19 -49.4 69.9 Favored 'General case' 0 C--N 1.338 0.086 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.2 -43.83 83.11 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.229 0.612 . . . . 0.0 111.606 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.74 -37.78 87.32 Favored 'General case' 0 C--N 1.342 0.244 0 CA-C-O 117.673 -1.156 . . . . 0.0 111.301 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -61.12 -52.19 65.93 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 119.666 1.121 . . . . 0.0 109.016 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 70.0 mt -60.34 -50.35 80.63 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.99 4.37 0.67 Allowed 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 116.043 1.868 . . . . 0.0 116.043 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 55.6 46.42 22.86 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 120.317 1.417 . . . . 0.0 108.935 -177.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 49.88 62.4 2.67 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 128.018 2.527 . . . . 0.0 110.96 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -132.03 123.84 28.08 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 124.892 1.277 . . . . 0.0 109.23 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 52.9 t -67.4 -44.06 87.24 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.067 0 CA-C-N 118.274 0.488 . . . . 0.0 111.811 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -53.21 -56.3 17.51 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.351 1.061 . . . . 0.0 109.083 -178.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.664 HG11 HG11 ' A' ' 39' ' ' VAL . 43.8 t -68.43 -42.24 83.85 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 CA-C-O 118.941 -0.552 . . . . 0.0 111.066 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.91 -32.05 65.54 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 119.579 1.081 . . . . 0.0 111.411 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 48.8 ttm-85 -60.73 -50.78 72.11 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 178.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 3.5 m -61.1 -34.94 75.75 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 118.459 -0.782 . . . . 0.0 111.404 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 63.0 mt -66.18 -51.9 54.1 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 26.6 mt -60.02 -31.28 69.8 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 121.861 -0.525 . . . . 0.0 109.893 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -71.98 -12.53 61.28 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 117.987 -1.006 . . . . 0.0 112.28 179.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -93.24 -56.32 2.99 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 178.272 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -63.08 -53.0 60.48 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 122.963 0.505 . . . . 0.0 110.881 -178.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 9.5 t -82.0 -72.41 0.44 Allowed 'General case' 0 C--O 1.238 0.461 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.26 -159.67 51.47 Favored Glycine 0 CA--C 1.534 1.237 0 CA-C-O 118.909 -0.939 . . . . 0.0 110.872 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -71.97 122.79 8.77 Favored 'Trans proline' 0 CA--C 1.535 0.546 0 C-N-CA 123.072 2.515 . . . . 0.0 108.837 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 67.8 m -124.52 22.49 8.36 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.971 0.909 . . . . 0.0 112.637 -178.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 19.5 m 67.2 7.11 5.23 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 126.743 2.017 . . . . 0.0 113.509 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.172 0 N-CA-C 105.524 -3.031 . . . . 0.0 105.524 178.942 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.363 0 N-CA-C 109.904 -1.278 . . . . 0.0 109.904 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.5 119.76 33.9 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 125.099 1.36 . . . . 0.0 109.787 -179.019 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.5 m -151.45 115.45 4.97 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 123.943 0.897 . . . . 0.0 109.382 179.208 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.01 161.87 11.11 Favored Glycine 0 C--N 1.336 0.53 0 CA-C-N 118.524 0.602 . . . . 0.0 113.595 178.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.1 t -84.87 167.22 16.19 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 107.078 -1.453 . . . . 0.0 107.078 178.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.5 m -161.34 162.58 30.89 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 126.45 1.9 . . . . 0.0 106.689 178.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.53 159.48 11.42 Favored Glycine 0 CA--C 1.525 0.677 0 CA-C-O 122.796 1.22 . . . . 0.0 114.071 179.353 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -50.75 120.19 4.54 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 129.407 3.083 . . . . 0.0 111.836 -178.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.5 p -65.05 -35.74 76.17 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 C-N-CA 125.216 1.406 . . . . 0.0 111.488 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.03 -52.87 38.72 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 125.141 1.376 . . . . 0.0 111.253 -179.259 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.69 -33.21 69.9 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.951 0.9 . . . . 0.0 111.698 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 54.4 mttp -68.88 -45.45 70.95 Favored 'General case' 0 C--O 1.227 -0.099 0 N-CA-C 108.517 -0.919 . . . . 0.0 108.517 179.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 81.7 mt -60.63 -51.09 77.09 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 N-CA-C 107.259 -1.385 . . . . 0.0 107.259 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.74 -37.71 66.24 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 119.339 -0.363 . . . . 0.0 111.15 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -61.58 -56.87 15.18 Favored 'General case' 0 C--N 1.34 0.182 0 CA-C-O 118.485 -0.769 . . . . 0.0 110.222 179.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -58.27 -39.74 80.05 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.949 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 97.6 mtp -56.98 -36.87 70.85 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 119.914 1.234 . . . . 0.0 109.652 178.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.37 -11.49 52.78 Favored Glycine 0 CA--C 1.527 0.785 0 CA-C-O 118.62 -1.1 . . . . 0.0 112.824 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -95.18 -2.3 50.03 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.25 1.42 . . . . 0.0 109.577 178.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.0 68.66 1.14 Allowed Glycine 0 C--N 1.336 0.554 0 C-N-CA 126.182 1.849 . . . . 0.0 114.892 178.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -149.83 153.26 36.48 Favored 'General case' 0 C--O 1.239 0.544 0 C-N-CA 125.192 1.397 . . . . 0.0 107.93 178.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.11 148.99 39.24 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 122.312 0.245 . . . . 0.0 110.341 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -53.25 -38.46 63.01 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.058 0.943 . . . . 0.0 111.651 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -62.75 -53.21 57.79 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.779 1.632 . . . . 0.0 110.579 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -57.04 -48.39 78.63 Favored 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 125.68 1.592 . . . . 0.0 108.914 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 99.5 t -61.14 -47.14 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 C-N-CA 124.858 1.263 . . . . 0.0 110.087 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -56.64 -43.74 80.57 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -64.7 -50.55 66.52 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 119.447 -0.901 . . . . 0.0 109.261 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.25 -44.58 79.8 Favored 'General case' 0 N--CA 1.446 -0.635 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -65.06 -38.52 91.07 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 119.594 1.088 . . . . 0.0 109.842 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -62.34 -53.74 50.64 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 119.02 0.827 . . . . 0.0 109.386 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 64.6 mt -56.84 -44.75 82.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.39 4.67 1.63 Allowed 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.851 1.66 . . . . 0.0 113.735 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 50.49 47.64 23.76 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 123.157 1.456 . . . . 0.0 109.014 -177.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 52.42 54.68 10.27 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 130.993 3.717 . . . . 0.0 113.694 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -129.28 112.32 13.76 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 178.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.8 t -46.78 -49.53 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 C-N-CA 126.374 1.87 . . . . 0.0 112.025 -179.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -52.26 -40.15 61.35 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 124.826 1.25 . . . . 0.0 113.445 -178.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.764 HG11 HG11 ' B' ' 39' ' ' VAL . 42.6 t -86.94 -36.07 9.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 C-N-CA 123.771 0.828 . . . . 0.0 110.425 -178.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.56 -35.37 70.26 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 118.686 0.676 . . . . 0.0 109.223 178.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 64.6 mtt180 -58.32 -53.7 55.38 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.414 1.086 . . . . 0.0 109.12 178.019 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.0 m -56.71 -43.87 81.0 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.551 1.54 . . . . 0.0 110.434 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 66.0 mt -62.31 -50.05 81.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 C-N-CA 124.229 1.012 . . . . 0.0 109.105 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 33.8 mt -62.15 -28.37 69.6 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.881 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.9 mmt85 -65.17 -41.79 94.3 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 119.803 1.183 . . . . 0.0 109.873 179.17 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -70.61 -39.32 73.84 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.431 0.559 . . . . 0.0 109.777 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -70.73 -52.82 18.42 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.978 0.808 . . . . 0.0 111.897 -179.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 34.3 t -100.12 78.5 2.08 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 126.727 2.011 . . . . 0.0 107.031 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -93.92 -78.71 1.42 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 108.567 -1.813 . . . . 0.0 108.567 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -67.26 127.85 17.4 Favored 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 123.056 2.504 . . . . 0.0 108.662 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.1 m -62.62 -23.24 66.96 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.7 m -117.49 119.06 33.91 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.316 0 N-CA-C 105.859 -2.896 . . . . 0.0 105.859 179.33 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.799 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 65.9 p -57.84 123.92 17.42 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.736 1.214 . . . . 0.0 112.89 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 32.9 m -170.61 174.55 5.0 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.987 2.115 . . . . 0.0 109.831 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.51 124.72 5.49 Favored Glycine 0 C--N 1.338 0.657 0 C-N-CA 126.448 1.975 . . . . 0.0 113.724 178.328 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.5 149.42 50.07 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 117.673 0.736 . . . . 0.0 109.687 178.551 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 5.7 m -147.72 147.02 29.48 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.325 1.05 . . . . 0.0 108.269 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.5 -178.45 16.6 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 124.002 0.811 . . . . 0.0 112.493 179.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -85.25 114.54 22.43 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 106.861 -1.533 . . . . 0.0 106.861 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 9.1 p -58.82 -27.87 36.23 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 CA-C-N 118.429 0.559 . . . . 0.0 110.47 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -58.34 -34.47 70.67 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 124.877 1.271 . . . . 0.0 110.607 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.69 -45.28 62.38 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 43.8 mttp -63.04 -39.43 94.72 Favored 'General case' 0 C--O 1.225 -0.225 0 C-N-CA 124.375 1.07 . . . . 0.0 109.939 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 38.0 mt -63.02 -58.12 9.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 N-CA-C 106.535 -1.654 . . . . 0.0 106.535 178.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.06 -34.42 60.02 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 111.573 0.212 . . . . 0.0 111.573 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 18.2 tptt -59.22 -62.58 1.77 Allowed 'General case' 0 C--N 1.339 0.141 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 178.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -57.83 -40.21 79.48 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-O 118.64 -0.695 . . . . 0.0 111.175 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 91.4 mtp -59.79 -33.92 72.35 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 119.783 1.174 . . . . 0.0 110.018 178.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.8 -23.59 67.47 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 178.513 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -80.36 -1.5 41.45 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.01 1.324 . . . . 0.0 111.311 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.12 53.63 1.86 Allowed Glycine 0 C--N 1.339 0.711 0 CA-C-O 118.041 -1.422 . . . . 0.0 116.276 177.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -134.63 153.42 51.99 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-N 117.99 0.895 . . . . 0.0 110.954 178.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.06 151.86 45.03 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 125.126 1.37 . . . . 0.0 110.201 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -57.92 -41.02 81.8 Favored 'General case' 0 C--N 1.333 -0.15 0 O-C-N 121.562 -0.711 . . . . 0.0 111.8 -179.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -60.74 -48.79 80.22 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 123.339 0.656 . . . . 0.0 110.802 -178.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -63.14 -48.31 79.01 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 125.308 1.443 . . . . 0.0 110.438 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 96.3 t -60.69 -48.02 90.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 O-C-N 120.941 -1.1 . . . . 0.0 111.61 -179.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -59.09 -38.99 80.8 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -63.03 -54.61 35.49 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.47 -46.87 76.8 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 124.622 1.169 . . . . 0.0 112.571 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.31 -37.69 87.91 Favored 'General case' 0 C--N 1.342 0.282 0 CA-C-O 117.644 -1.169 . . . . 0.0 110.932 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -61.39 -55.1 35.24 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 119.932 1.242 . . . . 0.0 109.625 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 77.2 mt -54.36 -48.32 68.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 C-N-CA 125.218 1.407 . . . . 0.0 108.602 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.13 11.38 0.32 Allowed 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 126.471 1.909 . . . . 0.0 115.535 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 50.39 44.84 26.72 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 121.257 1.844 . . . . 0.0 108.955 -177.575 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 49.17 53.59 12.36 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 128.024 2.53 . . . . 0.0 111.128 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 64.7 t-20 -121.11 114.75 21.9 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 28.7 t -55.14 -46.01 77.45 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 C-N-CA 124.627 1.171 . . . . 0.0 111.011 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -59.46 -38.49 80.91 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 125.534 1.533 . . . . 0.0 111.863 -177.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.764 HG11 HG11 ' A' ' 39' ' ' VAL . 80.1 t -83.44 -40.43 16.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 179.139 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.72 -34.09 67.15 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 118.898 0.772 . . . . 0.0 109.719 179.121 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 -58.5 -50.1 74.99 Favored 'General case' 0 C--N 1.339 0.151 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 178.013 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 69.6 m -61.33 -42.22 98.32 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.744 0.818 . . . . 0.0 111.215 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 72.9 mt -59.75 -50.36 80.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 13.4 mt -63.24 -27.25 69.22 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.919 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 20.7 mmt85 -65.86 -38.36 88.63 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 120.448 1.476 . . . . 0.0 109.89 178.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -68.22 -49.64 59.38 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 118.502 0.592 . . . . 0.0 110.042 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -63.69 -51.81 63.4 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.913 0.885 . . . . 0.0 111.079 -179.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 40.9 t -78.41 72.28 4.92 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 125.662 1.585 . . . . 0.0 108.19 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -105.45 -71.02 0.8 Allowed Glycine 0 CA--C 1.524 0.597 0 C-N-CA 126.735 2.112 . . . . 0.0 108.669 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -79.01 94.96 1.06 Allowed 'Trans proline' 0 N--CA 1.45 -1.078 0 C-N-CA 123.252 2.635 . . . . 0.0 109.609 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 4.0 m -59.99 -27.48 66.9 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 121.344 -0.847 . . . . 0.0 110.169 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 20.4 m -88.25 16.22 6.56 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 128.059 2.543 . . . . 0.0 112.102 179.35 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.013 0 C-N-CA 125.593 1.568 . . . . 0.0 110.526 179.34 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.96 0 CA-C-O 119.722 -0.488 . . . . 0.0 112.068 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.3 m -80.03 71.75 6.77 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 125.761 1.624 . . . . 0.0 108.915 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -69.82 -5.99 29.38 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -179.294 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.76 -10.11 4.37 Favored Glycine 0 CA--C 1.529 0.933 0 N-CA-C 117.446 1.738 . . . . 0.0 117.446 178.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.7 m -89.24 147.81 23.94 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 121.113 2.457 . . . . 0.0 111.778 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 t -109.64 177.51 4.71 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.323 1.849 . . . . 0.0 106.858 178.071 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.75 170.79 34.62 Favored Glycine 0 CA--C 1.524 0.648 0 CA-C-O 118.464 -1.187 . . . . 0.0 110.153 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 5.52 93.82 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 129.664 3.186 . . . . 0.0 113.78 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.5 t -54.65 -39.76 48.06 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 C-N-CA 124.532 1.133 . . . . 0.0 109.747 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -59.21 -44.9 92.27 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 123.605 0.762 . . . . 0.0 110.054 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.3 -16.63 63.78 Favored 'General case' 0 CA--C 1.527 0.085 0 C-N-CA 123.742 0.817 . . . . 0.0 112.096 179.203 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 47.7 mttp -93.34 -43.5 8.75 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.579 1.151 . . . . 0.0 108.202 179.118 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 63.5 mt -60.52 -53.67 45.73 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 178.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.21 -13.86 14.61 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.016 0.926 . . . . 0.0 112.244 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.9 tptm -77.47 -63.54 1.35 Allowed 'General case' 0 C--O 1.234 0.253 0 N-CA-C 107.386 -1.339 . . . . 0.0 107.386 178.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.67 -35.06 73.69 Favored 'General case' 0 CA--C 1.516 -0.35 0 C-N-CA 125.272 1.429 . . . . 0.0 111.77 -179.242 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 89.4 mtp -59.93 -18.86 48.3 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 118.668 0.667 . . . . 0.0 110.997 178.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.13 -26.95 65.15 Favored Glycine 0 CA--C 1.528 0.902 0 O-C-N 120.926 -1.109 . . . . 0.0 111.363 178.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -76.34 -11.01 59.83 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.914 1.286 . . . . 0.0 112.518 -179.337 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 117.08 -19.44 11.91 Favored Glycine 0 CA--C 1.526 0.732 0 C-N-CA 125.223 1.392 . . . . 0.0 114.833 178.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -62.64 146.87 51.02 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 118.538 1.169 . . . . 0.0 110.789 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.83 158.19 31.0 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 124.866 1.267 . . . . 0.0 111.229 -178.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -54.71 -45.29 74.0 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 113.134 0.791 . . . . 0.0 113.134 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -61.21 -49.18 78.2 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 112.805 0.668 . . . . 0.0 112.805 -178.171 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -58.93 -47.01 86.58 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 125.853 1.661 . . . . 0.0 109.237 -179.063 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 73.3 t -66.58 -52.13 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 124.592 1.157 . . . . 0.0 111.694 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.2 ttpt -54.88 -39.75 69.03 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.9 tpt180 -68.69 -45.64 71.12 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.47 -42.1 91.26 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.204 0.602 . . . . 0.0 111.929 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.55 -36.49 83.96 Favored 'General case' 0 C--N 1.342 0.247 0 CA-C-O 117.254 -1.355 . . . . 0.0 110.981 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -61.56 -53.31 57.98 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 120.616 1.553 . . . . 0.0 109.096 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 61.0 mt -56.94 -43.77 81.25 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 C-N-CA 125.083 1.353 . . . . 0.0 108.337 -179.39 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.22 6.6 3.4 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 127.611 2.364 . . . . 0.0 114.274 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.404 ' HG3' HG22 ' B' ' 39' ' ' VAL . 5.2 mm100 55.55 41.92 30.22 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 120.065 1.302 . . . . 0.0 110.047 -178.471 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.3 t30 51.42 62.85 2.5 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 128.214 2.606 . . . . 0.0 110.95 -179.087 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -139.58 113.04 8.37 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 124.849 1.26 . . . . 0.0 110.193 178.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.8 t -56.78 -42.24 77.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 C-N-CA 124.754 1.222 . . . . 0.0 110.159 179.006 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -55.16 -28.27 51.59 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 125.466 1.506 . . . . 0.0 111.518 -178.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.546 HG11 HG11 ' B' ' 39' ' ' VAL . 37.0 t -99.86 -41.44 9.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 CA-C-O 118.637 -0.697 . . . . 0.0 109.536 178.602 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.52 -31.69 36.72 Favored 'General case' 0 C--N 1.342 0.282 0 C-N-CA 123.637 0.775 . . . . 0.0 111.242 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 55.4 mtt180 -57.01 -53.9 52.78 Favored 'General case' 0 C--N 1.341 0.199 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 177.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.5 m -60.1 -34.71 73.85 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.048 0.539 . . . . 0.0 111.889 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 79.5 mt -67.54 -52.7 38.49 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 C-N-CA 123.904 0.882 . . . . 0.0 108.949 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.1 mt -61.32 -30.12 70.3 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.36 0.664 . . . . 0.0 110.14 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 57.9 mtp85 -65.44 -20.0 66.18 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.253 0.621 . . . . 0.0 110.911 178.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -99.32 -47.36 5.19 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 119.398 0.999 . . . . 0.0 108.514 177.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -63.74 -20.72 65.97 Favored 'General case' 0 C--N 1.343 0.308 0 CA-C-O 118.168 -0.92 . . . . 0.0 112.889 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.7 t -132.11 -62.33 0.85 Allowed 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 120.218 1.372 . . . . 0.0 108.72 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 156.86 -179.27 32.79 Favored Glycine 0 CA--C 1.524 0.617 0 C-N-CA 119.951 -1.119 . . . . 0.0 114.192 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -64.5 -175.25 0.32 Allowed 'Trans proline' 0 CA--C 1.534 0.483 0 C-N-CA 125.169 3.913 . . . . 0.0 111.514 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 34.0 m -116.22 -73.71 0.64 Allowed 'General case' 0 C--O 1.235 0.3 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 67.6 m 56.33 -165.65 0.13 Allowed 'General case' 0 C--O 1.235 0.337 0 C-N-CA 123.875 0.87 . . . . 0.0 110.986 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.111 0 N-CA-C 109.312 -1.515 . . . . 0.0 109.312 -178.891 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.732 0 CA-C-O 119.017 -0.88 . . . . 0.0 112.291 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 65.8 m -143.18 91.88 2.32 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.212 1.005 . . . . 0.0 109.599 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.23 -15.85 63.94 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.63 0.772 . . . . 0.0 112.224 179.557 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 51.12 61.62 6.05 Favored Glycine 0 C--N 1.342 0.888 0 C-N-CA 125.827 1.68 . . . . 0.0 111.157 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 10.5 m -127.19 171.92 11.02 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.925 1.69 . . . . 0.0 110.359 -179.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 3.5 t -131.19 178.04 7.0 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.875 0.87 . . . . 0.0 111.639 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.26 -138.52 2.9 Favored Glycine 0 CA--C 1.526 0.721 0 C-N-CA 125.468 1.509 . . . . 0.0 110.008 -179.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 23.9 m-20 -62.23 135.01 57.29 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 118.207 1.004 . . . . 0.0 109.483 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 48.3 t -77.09 -53.98 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 C-N-CA 124.251 1.02 . . . . 0.0 110.158 -179.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -60.77 -25.94 66.88 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 121.276 -0.89 . . . . 0.0 111.147 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.57 -19.28 63.54 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 118.56 0.618 . . . . 0.0 110.755 178.039 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 30.6 mttp -89.36 -41.83 11.9 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 125.657 1.583 . . . . 0.0 107.558 178.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 73.3 mt -59.44 -52.84 56.22 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.03 -28.65 64.67 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 13.5 tptm -64.74 -65.02 0.73 Allowed 'General case' 0 C--O 1.234 0.239 0 N-CA-C 107.778 -1.194 . . . . 0.0 107.778 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.6 -37.98 83.16 Favored 'General case' 0 C--O 1.225 -0.218 0 C-N-CA 124.302 1.041 . . . . 0.0 111.952 -179.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 81.0 mtp -58.09 -28.21 64.39 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 120.157 1.344 . . . . 0.0 110.176 179.015 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.26 -14.02 82.28 Favored Glycine 0 CA--C 1.526 0.726 0 O-C-N 121.276 -0.89 . . . . 0.0 112.153 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -80.64 -15.22 57.12 Favored 'General case' 0 C--O 1.228 -0.037 0 CA-C-N 118.749 1.275 . . . . 0.0 111.377 178.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.95 52.4 0.74 Allowed Glycine 0 CA--C 1.522 0.521 0 C-N-CA 124.698 1.142 . . . . 0.0 112.86 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -136.58 144.78 44.32 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 178.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.75 155.95 39.2 Favored 'General case' 0 C--O 1.233 0.2 0 O-C-N 123.776 0.672 . . . . 0.0 110.651 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -55.85 -42.52 75.94 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 121.961 -0.462 . . . . 0.0 110.95 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -66.01 -21.72 66.41 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.75 0.82 . . . . 0.0 113.073 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -87.85 -43.19 12.01 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 123.846 0.859 . . . . 0.0 108.712 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 81.6 t -69.52 -55.79 13.9 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 C-N-CA 125.392 1.477 . . . . 0.0 112.433 -178.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 17.1 ttpt -56.69 -37.55 71.04 Favored 'General case' 0 CA--C 1.523 -0.096 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 -65.53 -46.18 80.6 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.8 -45.79 81.99 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 122.677 0.391 . . . . 0.0 110.368 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.43 -41.02 98.41 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-O 117.972 -1.014 . . . . 0.0 109.651 179.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -53.94 -54.51 37.91 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.885 1.274 . . . . 0.0 110.248 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 80.2 mt -63.7 -49.55 81.73 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 C-N-CA 126.112 1.765 . . . . 0.0 110.241 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.85 6.87 0.44 Allowed 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 125.746 1.618 . . . . 0.0 114.701 -179.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 57.48 50.16 11.66 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.334 1.054 . . . . 0.0 108.376 -178.055 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 54.9 t30 48.54 50.99 16.17 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 128.009 2.524 . . . . 0.0 113.393 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 64.9 t-20 -127.71 118.34 23.62 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 120.723 -1.235 . . . . 0.0 109.543 179.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 24.1 t -60.78 -41.17 87.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 C-N-CA 125.91 1.684 . . . . 0.0 111.933 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -63.76 -25.55 68.24 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 124.273 1.029 . . . . 0.0 111.896 -178.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.546 HG11 HG11 ' A' ' 39' ' ' VAL . 64.6 t -99.19 -39.41 7.8 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 124.443 1.097 . . . . 0.0 109.958 -178.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.93 -30.02 68.77 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.069 0.948 . . . . 0.0 111.136 179.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -56.23 -48.76 75.85 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 178.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 29.7 m -61.55 -32.75 72.84 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 76.5 mt -67.6 -51.88 46.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 19.1 mt -59.65 -37.0 77.51 Favored 'General case' 0 C--O 1.226 -0.159 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 45.4 mtp85 -65.59 -25.1 67.25 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 118.983 -0.532 . . . . 0.0 111.138 178.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -91.32 -39.94 11.76 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 118.098 -0.953 . . . . 0.0 112.115 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -76.14 -52.42 10.14 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 119.242 0.928 . . . . 0.0 109.212 178.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.07 -91.6 0.07 Allowed 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 173.39 177.6 42.75 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -72.9 152.5 52.16 Favored 'Trans proline' 0 N--CA 1.451 -0.993 0 C-N-CA 122.547 2.165 . . . . 0.0 110.444 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 4.1 m -54.88 -48.51 72.88 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.919 1.288 . . . . 0.0 114.191 -179.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 56.4 m 64.87 161.91 0.13 Allowed 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 126.124 1.77 . . . . 0.0 111.034 -178.114 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.912 0 N-CA-C 106.282 -2.727 . . . . 0.0 106.282 -178.334 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.898 0 N-CA-C 110.721 -0.952 . . . . 0.0 110.721 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.8 t -62.58 -43.62 98.34 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 125.657 1.583 . . . . 0.0 113.319 -179.153 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 m -140.33 120.85 14.15 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -177.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.34 178.33 19.38 Favored Glycine 0 CA--C 1.528 0.906 0 C-N-CA 126.121 1.819 . . . . 0.0 109.392 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 m 54.32 23.34 4.28 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 114.444 1.276 . . . . 0.0 114.444 178.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.8 p -78.62 148.76 33.12 Favored 'General case' 0 C--O 1.235 0.312 0 O-C-N 120.775 -1.203 . . . . 0.0 111.454 -179.304 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.83 69.85 3.24 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 109.407 -1.477 . . . . 0.0 109.407 179.187 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.7 m120 -152.14 148.3 27.47 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 124.166 0.986 . . . . 0.0 109.271 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 74.7 t -124.52 -52.41 2.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 C-N-CA 127.235 2.214 . . . . 0.0 105.555 178.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -57.96 -44.75 87.2 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.095 1.358 . . . . 0.0 111.447 179.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.4 -16.56 63.74 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.839 -0.538 . . . . 0.0 110.874 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.438 ' HB3' HD11 ' A' ' 30' ' ' LEU . 27.7 mttp -90.41 -34.22 15.72 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 117.84 -1.076 . . . . 0.0 108.474 178.688 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 45.1 mt -57.59 -57.24 11.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 177.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.05 -35.61 64.67 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.639 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.1 tptm -63.11 -58.33 7.6 Favored 'General case' 0 C--O 1.226 -0.14 0 C-N-CA 123.727 0.811 . . . . 0.0 110.118 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.403 ' HB2' HG13 ' A' ' 26' ' ' VAL . 4.3 mm? -64.04 -36.65 84.68 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-O 118.105 -0.95 . . . . 0.0 111.87 -179.19 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 92.1 mtp -56.17 -37.62 69.81 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 119.68 1.127 . . . . 0.0 109.797 179.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.2 -17.64 59.46 Favored Glycine 0 C--N 1.34 0.788 0 C-N-CA 124.773 1.178 . . . . 0.0 113.787 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -79.22 -18.23 53.29 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.984 1.392 . . . . 0.0 110.086 179.075 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.03 59.26 0.66 Allowed Glycine 0 CA--C 1.527 0.797 0 C-N-CA 125.034 1.302 . . . . 0.0 111.948 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -137.33 159.38 42.09 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 125.296 1.438 . . . . 0.0 108.105 178.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.75 148.78 26.86 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.441 0.564 . . . . 0.0 109.601 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -51.31 -42.52 61.25 Favored 'General case' 0 C--O 1.231 0.089 0 C-N-CA 125.154 1.381 . . . . 0.0 112.389 -179.312 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -61.62 -31.74 71.84 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -178.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -84.59 -36.85 21.77 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 124.286 1.035 . . . . 0.0 110.095 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.403 HG13 ' HB2' ' A' ' 16' ' ' LEU . 44.7 t -62.7 -46.48 96.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 C-N-CA 124.803 1.241 . . . . 0.0 108.953 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -58.85 -39.6 81.76 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -63.61 -50.49 69.18 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.54 -48.51 74.59 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.534 0.733 . . . . 0.0 112.873 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.438 HD11 ' HB3' ' A' ' 12' ' ' LYS . 4.1 mm? -63.96 -41.53 97.55 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 118.519 -0.753 . . . . 0.0 112.759 -178.621 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -60.09 -52.0 67.22 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 118.834 0.743 . . . . 0.0 109.483 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 88.2 mt -60.51 -52.25 63.59 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 C-N-CA 125.148 1.379 . . . . 0.0 111.257 -179.016 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.6 ' HB2' HD12 ' A' ' 43' ' ' ILE . . . -73.01 8.74 1.43 Allowed 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 115.246 1.573 . . . . 0.0 115.246 -178.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 55.79 57.27 5.34 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 122.859 1.314 . . . . 0.0 110.656 -179.027 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 40.54 55.26 2.92 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 130.819 3.647 . . . . 0.0 114.753 179.041 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 56.9 t-20 -126.11 110.78 13.9 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 127.037 2.135 . . . . 0.0 108.252 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 38.1 t -52.08 -42.84 36.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 C-N-CA 125.328 1.451 . . . . 0.0 111.942 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -56.42 -52.11 65.87 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.73 1.212 . . . . 0.0 112.181 -178.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.48 ' HB ' ' HB1' ' A' ' 33' ' ' ALA . 14.7 t -71.87 -39.99 68.17 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 C-N-CA 124.479 1.112 . . . . 0.0 109.847 -179.468 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.55 -36.54 69.4 Favored 'General case' 0 CA--C 1.53 0.203 0 O-C-N 121.481 -0.762 . . . . 0.0 111.482 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.6 mtm180 -61.83 -46.09 91.01 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 178.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 75.0 m -59.59 -34.38 72.66 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 118.91 0.777 . . . . 0.0 111.364 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.6 HD12 ' HB2' ' A' ' 33' ' ' ALA . 58.3 mt -63.92 -50.64 76.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.042 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.8 mt -62.15 -24.77 67.37 Favored 'General case' 0 CA--C 1.527 0.085 0 C-N-CA 124.237 1.015 . . . . 0.0 111.333 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 23.0 mmt85 -64.1 -38.56 91.5 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 120.006 1.275 . . . . 0.0 110.529 178.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -76.82 -39.55 50.93 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -68.7 -52.91 25.77 Favored 'General case' 0 C--O 1.226 -0.141 0 CA-C-N 118.381 0.537 . . . . 0.0 111.94 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.0 t -72.74 -51.0 20.95 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 124.364 1.066 . . . . 0.0 112.78 -178.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.78 176.14 21.12 Favored Glycine 0 CA--C 1.542 1.729 0 N-CA-C 109.41 -1.476 . . . . 0.0 109.41 -177.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -75.66 90.0 1.17 Allowed 'Trans proline' 0 N--CA 1.454 -0.814 0 C-N-CA 123.568 2.845 . . . . 0.0 110.581 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.8 p -56.7 -42.98 80.07 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 122.382 1.087 . . . . 0.0 110.04 179.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.1 m -157.94 169.09 25.36 Favored 'General case' 0 C--O 1.239 0.552 0 C-N-CA 127.624 2.37 . . . . 0.0 106.17 178.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.77 0 N-CA-C 109.679 -1.369 . . . . 0.0 109.679 -179.553 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.748 0 N-CA-C 110.584 -1.007 . . . . 0.0 110.584 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 11.9 t -56.23 -47.12 79.09 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.229 1.811 . . . . 0.0 111.339 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 65.9 m -143.78 88.97 2.02 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 123.651 0.781 . . . . 0.0 109.144 179.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.28 173.49 16.51 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 178.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 11.0 m 50.75 20.22 0.72 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.162 1.785 . . . . 0.0 115.705 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 4.9 p -70.78 156.89 38.96 Favored 'General case' 0 C--O 1.238 0.477 0 O-C-N 121.175 -0.953 . . . . 0.0 109.567 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.28 49.2 0.97 Allowed Glycine 0 CA--C 1.525 0.693 0 C-N-CA 125.626 1.584 . . . . 0.0 113.731 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -125.93 159.68 31.97 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.983 1.313 . . . . 0.0 108.081 178.706 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 48.7 t -127.26 -55.04 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 C-N-CA 125.369 1.467 . . . . 0.0 107.26 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -57.76 -49.36 76.85 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 124.568 1.147 . . . . 0.0 110.854 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.41 -18.33 64.61 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 121.947 -0.471 . . . . 0.0 111.575 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -84.18 -42.07 16.35 Favored 'General case' 0 CA--C 1.518 -0.267 0 C-N-CA 123.657 0.783 . . . . 0.0 109.531 179.017 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 49.7 mt -59.09 -54.7 30.59 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.24 -35.16 25.64 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 36.1 tttt -62.01 -56.17 21.82 Favored 'General case' 0 CA--C 1.527 0.058 0 C-N-CA 125.611 1.564 . . . . 0.0 111.233 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -67.08 -36.89 82.97 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-N 118.744 0.702 . . . . 0.0 109.665 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 99.3 mtp -59.19 -33.18 70.65 Favored 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.08 -27.29 62.27 Favored Glycine 0 CA--C 1.526 0.723 0 CA-C-O 118.833 -0.982 . . . . 0.0 112.803 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -71.87 -21.36 61.67 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 118.697 1.248 . . . . 0.0 110.595 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.81 -8.41 6.45 Favored Glycine 0 CA--C 1.527 0.818 0 CA-C-O 117.911 -1.494 . . . . 0.0 114.245 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -69.28 163.68 24.5 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 119.143 1.471 . . . . 0.0 111.988 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.51 155.53 19.6 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.556 1.543 . . . . 0.0 109.94 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -56.47 -46.69 80.29 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 124.586 1.154 . . . . 0.0 113.651 -179.007 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -56.8 -45.78 81.99 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 112.516 0.561 . . . . 0.0 112.516 -177.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -63.05 -49.21 75.46 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 126.279 1.832 . . . . 0.0 110.588 -178.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 75.2 t -65.32 -50.85 70.9 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 C-N-CA 124.263 1.025 . . . . 0.0 111.416 -179.243 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.3 ttpt -55.22 -39.53 69.78 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -67.79 -50.29 57.74 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.41 -43.18 75.05 Favored 'General case' 0 N--CA 1.457 -0.088 0 C-N-CA 124.444 1.097 . . . . 0.0 112.265 -179.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.83 -33.04 73.44 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 117.234 -1.365 . . . . 0.0 110.476 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -69.81 -50.82 39.2 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 120.807 1.64 . . . . 0.0 109.593 179.028 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 65.4 mt -55.57 -39.39 54.05 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 C-N-CA 123.845 0.858 . . . . 0.0 109.6 -179.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.17 3.56 14.86 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 127.541 2.337 . . . . 0.0 113.871 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 54.96 55.74 7.41 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.757 1.223 . . . . 0.0 108.096 -177.121 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 29.6 m120 44.51 54.9 6.11 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 130.711 3.605 . . . . 0.0 111.031 -179.22 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 56.7 t-20 -127.7 121.19 29.73 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 123.869 0.868 . . . . 0.0 110.467 -179.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 23.9 t -65.09 -44.32 95.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 124.242 1.017 . . . . 0.0 111.398 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -56.63 -42.14 78.34 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 123.955 0.902 . . . . 0.0 110.312 -178.014 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.554 HG13 ' HA ' ' A' ' 33' ' ' ALA . 61.4 t -80.3 -40.08 19.6 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 122.638 0.375 . . . . 0.0 111.345 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.73 -30.1 55.27 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 119.167 0.894 . . . . 0.0 111.332 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 42.7 mtt-85 -53.03 -59.43 4.55 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.229 1.011 . . . . 0.0 109.727 178.153 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 3.5 m -60.39 -32.82 71.68 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.135 0.974 . . . . 0.0 112.892 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 66.8 mt -66.89 -53.53 33.53 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-N 119.256 0.935 . . . . 0.0 108.595 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 19.8 mt -58.68 -32.1 68.82 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 122.719 0.408 . . . . 0.0 110.506 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -66.24 -20.34 66.09 Favored 'General case' 0 C--N 1.339 0.149 0 CA-C-O 118.009 -0.996 . . . . 0.0 111.603 179.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -92.07 -45.43 8.3 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 120.447 1.476 . . . . 0.0 110.426 178.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -68.18 -30.14 69.17 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 123.688 0.617 . . . . 0.0 112.149 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 32.7 t -105.68 -59.34 1.78 Allowed 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.989 0.916 . . . . 0.0 110.998 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.5 -172.95 53.55 Favored Glycine 0 CA--C 1.534 1.255 0 N-CA-C 111.421 -0.672 . . . . 0.0 111.421 -179.265 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -74.61 110.06 3.03 Favored 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 123.515 2.81 . . . . 0.0 110.921 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 19.3 p -87.54 -27.01 22.86 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.719 0.808 . . . . 0.0 111.399 179.09 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 4.9 m -154.16 132.79 12.16 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 127.005 2.122 . . . . 0.0 106.976 179.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.946 0 N-CA-C 104.886 -3.285 . . . . 0.0 104.886 -179.39 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.605 0 N-CA-C 110.06 -1.216 . . . . 0.0 110.06 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 p -173.25 127.62 0.44 Allowed 'General case' 0 C--O 1.235 0.305 0 C-N-CA 127.427 2.291 . . . . 0.0 106.767 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.0 m -135.83 -8.1 2.12 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -179.497 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.77 179.26 47.03 Favored Glycine 0 C--N 1.335 0.473 0 CA-C-N 120.367 1.439 . . . . 0.0 110.177 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.8 p -75.95 154.9 35.57 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 117.229 0.515 . . . . 0.0 110.422 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.2 p -156.82 28.05 0.32 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.269 1.827 . . . . 0.0 109.444 179.263 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.7 -153.79 46.23 Favored Glycine 0 C--N 1.338 0.646 0 N-CA-C 109.617 -1.393 . . . . 0.0 109.617 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 62.8 161.01 0.09 Allowed 'General case' 0 C--O 1.234 0.267 0 C-N-CA 128.325 2.65 . . . . 0.0 112.857 179.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.3 t -146.92 -55.22 0.1 OUTLIER 'Isoleucine or valine' 0 C--O 1.225 -0.235 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.326 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -57.27 -46.63 82.91 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 118.719 0.69 . . . . 0.0 111.248 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.13 -16.27 51.4 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 118.892 0.769 . . . . 0.0 112.778 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.5 mttt -91.36 -43.46 9.75 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 107.599 -1.259 . . . . 0.0 107.599 179.064 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 52.5 mt -59.14 -51.75 68.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 N-CA-C 106.901 -1.518 . . . . 0.0 106.901 178.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.66 -44.72 66.38 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 178.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.6 tttp -58.47 -57.63 12.08 Favored 'General case' 0 C--N 1.34 0.156 0 CA-C-O 118.03 -0.986 . . . . 0.0 111.223 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -58.87 -38.63 79.24 Favored 'General case' 0 C--N 1.343 0.286 0 CA-C-N 119.657 1.117 . . . . 0.0 110.898 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 80.1 mtp -58.09 -33.45 69.11 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 119.34 0.973 . . . . 0.0 109.412 179.05 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.19 -16.39 73.07 Favored Glycine 0 CA--C 1.533 1.164 0 C-N-CA 125.148 1.356 . . . . 0.0 112.502 178.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -79.72 -20.09 47.27 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 119.25 1.525 . . . . 0.0 109.166 178.194 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.88 55.68 0.44 Allowed Glycine 0 C--N 1.337 0.629 0 C-N-CA 125.576 1.56 . . . . 0.0 112.106 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -139.49 150.57 45.31 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 118.391 1.095 . . . . 0.0 108.068 178.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.37 155.92 24.48 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 121.616 0.722 . . . . 0.0 111.0 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -55.86 -39.12 71.04 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.922 1.289 . . . . 0.0 113.331 -179.013 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -67.97 -20.16 65.02 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 122.953 0.501 . . . . 0.0 112.099 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -91.78 -46.49 7.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 122.573 1.178 . . . . 0.0 109.074 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 89.0 t -65.08 -53.34 42.24 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 C-N-CA 125.676 1.591 . . . . 0.0 113.321 -177.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -55.58 -38.14 68.99 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 118.217 0.462 . . . . 0.0 110.106 -179.416 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.8 tpt180 -62.87 -50.7 69.86 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 179.217 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.62 -41.19 85.36 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.077 0.399 . . . . 0.0 111.728 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -67.21 -32.6 73.76 Favored 'General case' 0 C--N 1.341 0.225 0 O-C-N 121.023 -1.048 . . . . 0.0 110.99 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -65.05 -52.92 53.03 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 178.624 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 66.8 mt -58.28 -51.58 69.47 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 124.527 1.131 . . . . 0.0 109.586 -179.53 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.77 6.22 0.52 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.519 1.928 . . . . 0.0 115.61 -179.06 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 54.82 31.38 15.5 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 120.332 1.424 . . . . 0.0 109.996 -177.658 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.2 m120 71.65 22.33 4.08 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 130.733 3.613 . . . . 0.0 115.911 179.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 -92.08 118.6 30.97 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 120.446 1.476 . . . . 0.0 107.692 178.012 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 25.6 t -61.82 -42.88 96.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 O-C-N 121.194 -0.941 . . . . 0.0 111.149 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -53.08 -39.56 63.41 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 123.955 0.902 . . . . 0.0 110.947 -177.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.438 HG11 HG11 ' B' ' 39' ' ' VAL . 60.7 t -80.59 -45.51 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.575 0 C-N-CA 126.832 2.053 . . . . 0.0 110.43 -179.648 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.4 -28.82 60.44 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.568 0.747 . . . . 0.0 111.934 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -59.68 -50.02 75.46 Favored 'General case' 0 C--O 1.227 -0.11 0 CA-C-O 118.955 -0.545 . . . . 0.0 110.06 178.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.2 m -56.67 -41.77 77.83 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.373 0.669 . . . . 0.0 111.868 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 69.2 mt -57.33 -56.97 12.01 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 N-CA-C 108.05 -1.092 . . . . 0.0 108.05 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 40.0 mt -59.34 -32.67 70.31 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 118.43 -0.795 . . . . 0.0 111.854 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 32.1 mtm180 -68.08 -28.35 67.28 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 119.556 1.071 . . . . 0.0 112.255 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -94.99 -29.35 14.67 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 118.954 0.797 . . . . 0.0 111.736 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -69.74 -49.62 51.44 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 105.194 -2.15 . . . . 0.0 105.194 176.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.4 t -88.84 -123.17 0.05 Allowed 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 104.51 -2.404 . . . . 0.0 104.51 177.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -148.04 166.78 28.92 Favored Glycine 0 CA--C 1.529 0.93 0 N-CA-C 110.362 -1.095 . . . . 0.0 110.362 179.189 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -70.59 117.97 5.43 Favored 'Trans proline' 0 N--CA 1.452 -0.917 0 C-N-CA 123.029 2.486 . . . . 0.0 109.283 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.1 t -140.31 -166.34 2.09 Favored 'General case' 0 C--O 1.239 0.509 0 C-N-CA 126.117 1.767 . . . . 0.0 107.648 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.54 165.15 36.77 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 125.439 1.496 . . . . 0.0 107.835 178.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.656 0 N-CA-C 106.894 -2.483 . . . . 0.0 106.894 179.519 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.685 0 CA-C-O 119.563 -0.576 . . . . 0.0 113.42 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.4 p -161.68 167.51 25.0 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 118.867 1.333 . . . . 0.0 109.542 179.012 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.3 p -158.7 -93.13 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.81 -168.01 33.55 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 108.758 -1.737 . . . . 0.0 108.758 178.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 60.5 p -88.48 -170.69 3.04 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.181 0.993 . . . . 0.0 109.314 178.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 10.8 p -170.88 -41.34 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.398 0 O-C-N 121.112 -0.993 . . . . 0.0 112.083 179.34 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.27 -174.8 18.31 Favored Glycine 0 CA--C 1.524 0.607 0 C-N-CA 125.614 1.578 . . . . 0.0 110.909 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 77.79 130.27 0.05 OUTLIER 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 128.115 2.566 . . . . 0.0 107.871 -178.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 8.8 t -104.68 -37.95 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 O-C-N 120.936 -1.102 . . . . 0.0 110.209 -178.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -60.83 -47.69 85.21 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 123.943 0.897 . . . . 0.0 112.717 -179.065 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.36 -20.12 58.22 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.425 0.69 . . . . 0.0 111.527 179.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 48.7 mttp -89.36 -44.27 10.33 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 44.4 mt -54.55 -53.2 33.3 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.084 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.24 -21.9 64.31 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 179.286 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 38.8 tttp -77.41 -54.65 6.19 Favored 'General case' 0 C--N 1.34 0.195 0 O-C-N 120.645 -1.285 . . . . 0.0 108.522 178.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -63.14 -40.41 97.49 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 119.648 1.113 . . . . 0.0 109.531 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 92.2 mtp -62.87 -30.03 71.21 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 178.109 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.65 -34.23 85.45 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 109.748 -1.341 . . . . 0.0 109.748 179.166 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -66.17 -49.24 68.05 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 105.122 -2.177 . . . . 0.0 105.122 177.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 151.98 -7.12 0.55 Allowed Glycine 0 C--N 1.343 0.931 0 CA-C-O 117.287 -1.84 . . . . 0.0 117.434 178.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -68.86 150.16 48.1 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 120.704 2.252 . . . . 0.0 112.157 -178.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.75 155.97 39.73 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 125.345 1.458 . . . . 0.0 112.506 -179.449 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -56.91 -41.29 77.87 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.004 0.521 . . . . 0.0 112.049 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.8 -31.47 71.69 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 123.852 0.861 . . . . 0.0 111.853 -179.544 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -84.45 -45.47 12.65 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 123.698 0.799 . . . . 0.0 111.311 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 80.3 t -60.51 -61.03 1.72 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 C-N-CA 125.621 1.568 . . . . 0.0 112.933 -177.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 12.2 tttt -56.16 -35.45 67.19 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 118.762 0.71 . . . . 0.0 111.093 -178.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -64.25 -53.11 54.25 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 106.91 -1.515 . . . . 0.0 106.91 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.18 -43.11 82.3 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.122 0.569 . . . . 0.0 111.143 179.073 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.27 -28.03 68.4 Favored 'General case' 0 N--CA 1.464 0.238 0 O-C-N 121.316 -0.865 . . . . 0.0 111.519 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -71.48 -55.47 7.82 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 107.394 -1.335 . . . . 0.0 107.394 178.665 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 28.1 mt -54.06 -46.77 66.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 C-N-CA 125.971 1.708 . . . . 0.0 110.04 -179.388 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.35 7.03 2.48 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.559 1.944 . . . . 0.0 115.289 -179.234 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 51.74 40.35 27.36 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 120.928 1.695 . . . . 0.0 108.165 -176.226 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 7.3 m120 66.59 9.31 6.5 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 129.559 3.143 . . . . 0.0 114.545 -179.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -76.93 117.24 18.32 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 121.822 2.101 . . . . 0.0 111.041 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 52.0 t -58.53 -42.81 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 C-N-CA 124.695 1.198 . . . . 0.0 111.453 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -65.21 -26.51 68.16 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -177.357 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.438 HG11 HG11 ' A' ' 39' ' ' VAL . 86.9 t -86.24 -44.16 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 N-CA-C 106.614 -1.624 . . . . 0.0 106.614 178.365 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.12 -35.89 49.57 Favored 'General case' 0 C--N 1.343 0.318 0 C-N-CA 123.971 0.908 . . . . 0.0 110.81 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 30.9 mtt85 -55.58 -53.16 59.9 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 118.655 0.661 . . . . 0.0 110.084 178.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 11.9 m -57.27 -29.1 63.57 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 125.068 1.347 . . . . 0.0 113.484 -179.232 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 71.8 mt -76.25 -51.85 18.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 C-N-CA 124.782 1.233 . . . . 0.0 107.846 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 59.6 mt -61.4 -32.38 72.32 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.426 0.691 . . . . 0.0 110.424 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -63.67 -34.69 78.41 Favored 'General case' 0 C--N 1.343 0.307 0 CA-C-O 118.822 -0.609 . . . . 0.0 110.546 179.096 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -84.67 -43.16 14.62 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 119.677 1.126 . . . . 0.0 109.952 179.329 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -66.36 -52.14 49.98 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 115.259 1.577 . . . . 0.0 115.259 -179.024 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 33.4 t -104.27 -1.68 26.7 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -178.459 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.97 144.52 10.79 Favored Glycine 0 CA--C 1.532 1.15 0 CA-C-N 119.508 1.049 . . . . 0.0 110.849 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -76.05 60.94 6.34 Favored 'Trans proline' 0 CA--C 1.536 0.621 1 C-N-CA 125.387 4.058 . . . . 0.0 114.975 -177.76 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 8.3 t -71.89 174.55 6.79 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-O 121.765 0.793 . . . . 0.0 110.64 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 5.2 t -125.21 -179.61 4.66 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 126.468 1.907 . . . . 0.0 108.586 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.857 0 N-CA-C 108.976 -1.65 . . . . 0.0 108.976 -179.805 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.563 0 N-CA-C 108.574 -1.81 . . . . 0.0 108.574 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 p -154.33 178.08 10.42 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 125.964 1.706 . . . . 0.0 108.908 -179.351 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -140.06 -27.42 0.76 Allowed 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.619 1.168 . . . . 0.0 111.934 -179.249 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.36 -144.87 5.36 Favored Glycine 0 C--N 1.34 0.778 0 CA-C-N 120.224 1.374 . . . . 0.0 111.94 -179.107 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 p -149.73 118.18 6.49 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 127.413 2.285 . . . . 0.0 105.84 179.42 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.6 m -66.92 155.3 38.85 Favored 'General case' 0 N--CA 1.451 -0.408 0 O-C-N 123.294 0.371 . . . . 0.0 111.611 -179.015 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.6 -167.77 42.42 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 109.668 -1.373 . . . . 0.0 109.668 178.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.2 m120 63.29 165.48 0.12 Allowed 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 128.442 2.697 . . . . 0.0 112.689 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.8 t -137.3 -44.36 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.209 0 C-N-CA 125.041 1.336 . . . . 0.0 108.725 179.341 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -59.39 -42.66 92.24 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -179.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.35 -34.4 77.24 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.839 -0.538 . . . . 0.0 110.527 178.378 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 45.5 mttt -68.49 -41.52 79.95 Favored 'General case' 0 C--O 1.224 -0.239 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 178.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 36.4 mt -57.78 -53.33 46.38 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.302 0 N-CA-C 105.676 -1.972 . . . . 0.0 105.676 178.509 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.57 -35.43 65.76 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 122.452 0.301 . . . . 0.0 111.652 178.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.5 tptp -61.52 -52.38 64.71 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.064 0.946 . . . . 0.0 109.0 178.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.92 -35.65 67.09 Favored 'General case' 0 C--O 1.225 -0.193 0 CA-C-N 119.411 1.005 . . . . 0.0 111.999 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 83.2 mtp -58.75 -35.79 73.3 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 119.893 1.224 . . . . 0.0 107.984 178.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.62 -18.54 61.58 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 125.095 1.331 . . . . 0.0 112.7 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -72.12 -35.62 69.19 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 119.48 1.64 . . . . 0.0 108.201 178.296 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 122.84 58.57 0.2 Allowed Glycine 0 CA--C 1.525 0.686 0 C-N-CA 125.017 1.294 . . . . 0.0 111.976 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -137.13 160.3 39.37 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 125.363 1.465 . . . . 0.0 109.197 178.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.16 157.49 25.26 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.987 0.915 . . . . 0.0 110.025 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -55.98 -43.62 77.76 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.474 1.11 . . . . 0.0 113.237 -178.535 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -56.83 -49.49 75.26 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 118.889 0.768 . . . . 0.0 112.072 -178.329 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -59.34 -48.46 81.55 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 126.028 1.731 . . . . 0.0 110.709 -178.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 87.9 t -62.76 -46.35 96.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 123.851 0.86 . . . . 0.0 110.566 -179.548 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.33 -37.38 83.05 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 118.949 -0.548 . . . . 0.0 109.627 -179.749 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.11 -54.19 47.7 Favored 'General case' 0 C--N 1.34 0.186 0 C-N-CA 125.204 1.402 . . . . 0.0 107.377 179.029 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.31 -49.13 72.97 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 124.629 1.171 . . . . 0.0 110.982 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.91 -36.02 83.03 Favored 'General case' 0 C--N 1.34 0.183 0 CA-C-N 119.759 1.163 . . . . 0.0 111.924 -179.486 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -63.27 -56.25 18.04 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-N 119.871 1.214 . . . . 0.0 109.454 179.329 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 77.4 mt -57.21 -50.41 76.71 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 C-N-CA 125.363 1.465 . . . . 0.0 108.447 -179.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.97 4.7 0.41 Allowed 'General case' 0 C--O 1.234 0.268 0 C-N-CA 126.646 1.978 . . . . 0.0 114.837 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.451 ' CG ' HG22 ' B' ' 39' ' ' VAL . 15.2 mm-40 53.48 43.38 31.36 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 120.549 1.522 . . . . 0.0 108.471 -178.492 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 26.8 m-80 58.17 27.04 14.49 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 128.742 2.817 . . . . 0.0 114.329 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 64.1 t-20 -99.56 118.78 36.87 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 120.323 1.419 . . . . 0.0 110.449 179.219 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 16.1 t -57.57 -44.28 84.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 C-N-CA 124.862 1.265 . . . . 0.0 110.171 179.06 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -60.05 -22.92 63.29 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 124.712 1.205 . . . . 0.0 113.933 -178.215 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.676 HG11 HG11 ' B' ' 39' ' ' VAL . 59.3 t -99.41 -40.92 9.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 179.196 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.09 -34.6 57.33 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.802 0.841 . . . . 0.0 111.9 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 37.8 ttt-85 -56.21 -52.2 65.29 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.028 0.531 . . . . 0.0 110.188 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 45.5 m -64.27 -31.02 72.06 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.231 0.612 . . . . 0.0 111.865 179.281 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 74.1 mt -68.36 -48.59 72.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-N 119.442 1.019 . . . . 0.0 108.561 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.6 mt -58.46 -32.06 68.39 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.277 0.631 . . . . 0.0 110.459 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.9 mmt85 -66.0 -21.49 66.41 Favored 'General case' 0 N--CA 1.461 0.11 0 C-N-CA 123.589 0.755 . . . . 0.0 111.91 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -100.34 -39.4 8.02 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 117.434 -1.269 . . . . 0.0 110.375 179.138 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -64.91 -51.83 59.8 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.6 t -82.48 -14.93 54.2 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.232 0.613 . . . . 0.0 110.878 178.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.03 -178.59 53.97 Favored Glycine 0 CA--C 1.536 1.383 0 O-C-N 121.132 -0.98 . . . . 0.0 112.1 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -73.2 116.37 4.68 Favored 'Trans proline' 0 N--CA 1.456 -0.724 0 C-N-CA 124.05 3.166 . . . . 0.0 109.545 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 p -69.46 149.85 47.84 Favored 'General case' 0 C--O 1.242 0.694 0 CA-C-O 120.847 0.356 . . . . 0.0 110.208 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 61.9 m -151.02 179.68 8.05 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.973 1.709 . . . . 0.0 110.422 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.318 0 CA-C-O 118.678 -1.068 . . . . 0.0 110.631 -179.85 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.6 0 N-CA-C 111.822 -0.511 . . . . 0.0 111.822 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 19.0 p -147.2 162.46 38.84 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 125.623 1.569 . . . . 0.0 110.011 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -151.47 -7.57 0.24 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.485 1.114 . . . . 0.0 112.225 179.032 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.48 -146.36 18.08 Favored Glycine 0 C--N 1.335 0.492 0 N-CA-C 106.868 -2.493 . . . . 0.0 106.868 -179.074 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 1.8 p -145.38 148.68 33.62 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 118.974 1.387 . . . . 0.0 111.486 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 17.1 m -74.32 133.66 42.55 Favored 'General case' 0 C--O 1.237 0.43 0 N-CA-C 107.149 -1.426 . . . . 0.0 107.149 178.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.63 -167.86 30.04 Favored Glycine 0 CA--C 1.528 0.845 0 C-N-CA 123.832 0.729 . . . . 0.0 112.292 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 t30 67.06 168.76 0.24 Allowed 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 128.874 2.869 . . . . 0.0 113.393 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 6.6 t -139.04 -47.67 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 C-N-CA 123.749 0.82 . . . . 0.0 110.767 -179.124 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.16 -45.29 75.71 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.408 -0.807 . . . . 0.0 111.575 -179.045 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.27 -34.93 79.51 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.762 -0.586 . . . . 0.0 110.537 178.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 52.1 mttt -64.96 -42.11 94.88 Favored 'General case' 0 C--O 1.225 -0.224 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 178.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 58.2 mt -55.51 -54.18 28.34 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 N-CA-C 107.435 -1.321 . . . . 0.0 107.435 178.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.12 -37.44 71.97 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 119.618 -0.23 . . . . 0.0 110.83 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 15.0 tptp -60.96 -56.37 21.87 Favored 'General case' 0 C--N 1.341 0.199 0 C-N-CA 123.823 0.849 . . . . 0.0 109.401 179.121 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.09 -41.87 97.45 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 117.831 -1.081 . . . . 0.0 111.167 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 92.0 mtp -55.58 -36.3 66.72 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 120.002 1.273 . . . . 0.0 110.118 179.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.16 -23.83 62.43 Favored Glycine 0 C--N 1.339 0.743 0 C-N-CA 124.041 0.829 . . . . 0.0 112.822 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -73.73 -6.68 48.38 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.149 1.475 . . . . 0.0 110.011 178.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.42 60.13 1.01 Allowed Glycine 0 C--N 1.339 0.747 0 C-N-CA 127.01 2.243 . . . . 0.0 112.109 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -138.33 152.66 48.69 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 118.063 0.932 . . . . 0.0 109.349 178.509 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.18 153.62 29.9 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 123.097 0.559 . . . . 0.0 109.595 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -54.58 -42.92 71.62 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 -178.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -64.48 -37.59 88.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 119.37 0.986 . . . . 0.0 112.212 -178.362 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -68.74 -46.77 68.01 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 179.229 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 73.9 t -59.43 -49.17 84.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 124.874 1.27 . . . . 0.0 111.668 -179.307 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -56.59 -39.74 74.07 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.15 -52.07 65.31 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 179.525 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.43 -48.97 71.05 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 124.137 0.975 . . . . 0.0 110.83 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.7 -41.31 97.41 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 119.533 1.061 . . . . 0.0 110.53 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -62.4 -58.12 8.79 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 118.982 0.81 . . . . 0.0 110.522 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 75.1 mt -57.43 -46.96 85.74 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 C-N-CA 125.106 1.363 . . . . 0.0 110.084 -179.144 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.494 ' HB2' HD12 ' B' ' 43' ' ' ILE . . . -75.64 16.7 0.35 Allowed 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 -179.542 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 50.96 42.54 28.4 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.824 1.193 . . . . 0.0 111.253 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 58.02 15.28 3.08 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 129.087 2.955 . . . . 0.0 114.33 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 57.8 t-20 -85.17 108.38 17.68 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.261 1.425 . . . . 0.0 108.061 177.517 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 37.1 t -52.43 -40.83 33.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 CA-C-N 119.968 1.258 . . . . 0.0 111.502 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -52.37 -31.12 32.22 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 125.19 1.396 . . . . 0.0 113.651 -178.012 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.676 HG11 HG11 ' A' ' 39' ' ' VAL . 64.1 t -99.7 -35.02 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 C-N-CA 123.784 0.834 . . . . 0.0 111.292 -179.184 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.81 -37.68 63.79 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 119.0 0.818 . . . . 0.0 110.215 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -55.59 -48.52 74.7 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.297 1.039 . . . . 0.0 110.702 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 13.1 m -70.56 -27.64 64.28 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.375 1.07 . . . . 0.0 112.094 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.494 HD12 ' HB2' ' B' ' 33' ' ' ALA . 81.5 mt -70.58 -47.58 63.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 178.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 17.0 mt -59.75 -29.71 68.34 Favored 'General case' 0 CA--C 1.527 0.079 0 C-N-CA 123.48 0.712 . . . . 0.0 110.832 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.06 -29.91 70.62 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 122.937 0.495 . . . . 0.0 111.775 179.101 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -91.61 -43.63 9.52 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -63.63 -52.87 58.94 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 119.243 0.929 . . . . 0.0 111.525 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 9.4 t -75.99 -22.72 55.55 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.602 0.761 . . . . 0.0 110.51 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 84.93 -179.2 51.14 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 124.149 0.88 . . . . 0.0 112.42 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -71.45 107.39 2.14 Favored 'Trans proline' 0 N--CA 1.451 -0.975 0 C-N-CA 123.233 2.622 . . . . 0.0 109.562 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.37 115.57 4.31 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 179.055 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 19.0 m -129.6 76.66 1.74 Allowed 'General case' 0 C--O 1.238 0.494 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 -179.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.192 0 N-CA-C 107.646 -2.182 . . . . 0.0 107.646 179.433 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.768 0 N-CA-C 110.014 -1.234 . . . . 0.0 110.014 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -68.18 -22.87 64.81 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 117.778 0.789 . . . . 0.0 112.767 -179.497 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.2 m -135.05 174.06 11.03 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 124.604 1.162 . . . . 0.0 110.903 -178.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.0 60.5 0.36 Allowed Glycine 0 CA--C 1.525 0.666 0 C-N-CA 125.428 1.49 . . . . 0.0 110.643 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.7 m -142.09 165.49 27.29 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 126.707 2.003 . . . . 0.0 107.178 178.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.0 p -174.27 -170.97 0.56 Allowed 'General case' 0 C--O 1.233 0.231 0 C-N-CA 124.694 1.198 . . . . 0.0 108.384 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.45 21.63 32.41 Favored Glycine 0 CA--C 1.528 0.899 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 177.321 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -130.22 142.81 50.54 Favored 'General case' 0 C--N 1.345 0.411 0 CA-C-N 119.598 1.699 . . . . 0.0 112.363 -178.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.5 p -123.28 -54.3 2.7 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 125.392 1.477 . . . . 0.0 110.565 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -53.81 -37.0 63.1 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 124.742 1.217 . . . . 0.0 113.269 -178.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.78 -33.54 74.27 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 122.804 0.442 . . . . 0.0 110.327 179.019 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.7 mttp -74.31 -37.13 63.71 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 123.844 0.858 . . . . 0.0 109.537 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 92.6 mt -59.64 -51.25 74.98 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 N-CA-C 106.475 -1.676 . . . . 0.0 106.475 178.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.72 -38.65 75.64 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 118.059 0.391 . . . . 0.0 110.924 179.1 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.0 tptp -61.23 -57.61 11.72 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.986 0.914 . . . . 0.0 110.684 179.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.71 -37.54 82.04 Favored 'General case' 0 C--N 1.339 0.147 0 CA-C-N 118.973 0.806 . . . . 0.0 110.79 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 52.2 mmm -57.94 -28.21 64.1 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 118.309 0.504 . . . . 0.0 110.842 178.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.58 -17.25 79.02 Favored Glycine 0 CA--C 1.529 0.965 0 C-N-CA 124.121 0.867 . . . . 0.0 112.899 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -78.26 -26.0 47.04 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 118.849 1.324 . . . . 0.0 110.651 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 119.86 50.65 0.29 Allowed Glycine 0 C--N 1.336 0.583 0 C-N-CA 123.916 0.769 . . . . 0.0 113.814 179.026 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -132.39 155.23 48.83 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 123.907 0.883 . . . . 0.0 109.85 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.57 154.82 30.03 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 121.543 0.687 . . . . 0.0 111.232 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -54.84 -40.83 70.02 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 124.971 1.308 . . . . 0.0 114.126 -177.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -62.04 -55.2 31.59 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 121.458 0.647 . . . . 0.0 109.335 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -56.25 -45.22 80.14 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 126.816 2.046 . . . . 0.0 111.487 -179.252 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.5 t -65.26 -57.05 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 C-N-CA 124.151 0.98 . . . . 0.0 110.877 -179.492 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -55.69 -38.19 69.33 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -62.48 -51.74 66.27 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.67 -38.12 77.48 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -64.38 -43.57 94.05 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 117.492 -1.242 . . . . 0.0 110.132 179.356 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.93 -43.54 98.62 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 119.762 1.165 . . . . 0.0 110.572 179.645 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 86.0 mt -63.14 -49.58 82.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.68 8.47 0.86 Allowed 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 54.6 47.05 23.51 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.686 1.13 . . . . 0.0 108.566 -177.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 47.78 59.29 4.28 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 128.846 2.858 . . . . 0.0 113.197 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -128.52 130.02 46.86 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 125.627 1.571 . . . . 0.0 107.186 179.097 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.8 t -66.95 -54.17 27.3 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 C-N-CA 124.085 0.954 . . . . 0.0 113.06 -178.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -53.39 -48.57 68.53 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 122.383 1.087 . . . . 0.0 110.866 -178.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.578 HG11 HG11 ' B' ' 39' ' ' VAL . 25.1 t -68.57 -43.63 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.815 0 C-N-CA 123.97 0.908 . . . . 0.0 108.988 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.1 -35.67 77.64 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 119.99 1.268 . . . . 0.0 111.404 179.047 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 56.1 mtt85 -60.07 -45.78 91.73 Favored 'General case' 0 C--O 1.219 -0.547 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 178.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.6 m -52.72 -36.05 56.89 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.595 0.758 . . . . 0.0 112.391 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 97.2 mt -70.68 -55.77 13.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 C-N-CA 124.33 1.052 . . . . 0.0 108.776 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 24.7 mt -60.56 -31.4 70.52 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.168 0.587 . . . . 0.0 111.234 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.4 mtp85 -63.78 -29.35 70.57 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 125.37 1.468 . . . . 0.0 110.072 178.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -91.98 -44.73 8.71 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.56 1.144 . . . . 0.0 110.946 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -63.43 -47.55 81.44 Favored 'General case' 0 C--N 1.34 0.176 0 CA-C-N 118.831 0.741 . . . . 0.0 110.547 -179.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.4 t -79.24 -72.78 0.37 Allowed 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 130.61 -167.85 21.94 Favored Glycine 0 CA--C 1.533 1.182 0 N-CA-C 108.024 -2.03 . . . . 0.0 108.024 -178.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -62.26 165.22 15.44 Favored 'Trans proline' 0 CA--C 1.543 0.926 0 C-N-CA 123.069 2.512 . . . . 0.0 111.529 178.541 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.5 m -139.69 151.87 46.24 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 124.844 1.258 . . . . 0.0 107.745 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.7 p -145.93 146.73 31.17 Favored 'General case' 0 C--O 1.233 0.196 0 O-C-N 120.854 -1.154 . . . . 0.0 112.02 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 N-CA-C 103.709 -3.757 . . . . 0.0 103.709 -179.194 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.996 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 44.6 m -144.09 -73.71 0.26 Allowed 'General case' 0 C--O 1.232 0.183 0 C-N-CA 123.957 0.903 . . . . 0.0 109.456 -178.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 57.0 m -73.38 174.22 8.46 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.632 1.173 . . . . 0.0 111.488 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.15 45.43 0.99 Allowed Glycine 0 CA--C 1.529 0.958 0 C-N-CA 125.717 1.627 . . . . 0.0 110.364 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m -135.52 148.86 49.31 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 125.462 1.505 . . . . 0.0 111.8 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 88.2 p -169.61 177.13 4.67 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.967 1.307 . . . . 0.0 110.358 178.189 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.51 22.95 35.7 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 126.834 2.159 . . . . 0.0 113.711 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -120.5 157.68 28.88 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-N 119.028 1.414 . . . . 0.0 107.602 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 7.6 p -136.68 -48.35 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 C-N-CA 124.292 1.037 . . . . 0.0 110.749 -178.658 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.27 -45.07 92.23 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 126.785 2.034 . . . . 0.0 110.92 -178.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.21 -39.78 79.92 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.553 0.741 . . . . 0.0 111.108 178.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 15.7 mttp -66.49 -45.96 77.87 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 119.164 -0.446 . . . . 0.0 109.978 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 89.8 mt -59.78 -47.12 92.52 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 N-CA-C 106.421 -1.696 . . . . 0.0 106.421 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.03 -19.55 65.28 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.226 -0.921 . . . . 0.0 113.077 179.167 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 29.5 tttp -78.18 -58.96 2.98 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 120.495 1.498 . . . . 0.0 109.87 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.425 ' HB2' HG13 ' B' ' 26' ' ' VAL . 3.7 mm? -58.16 -33.17 68.92 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 119.571 1.078 . . . . 0.0 110.71 -179.441 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 54.9 mmm -59.73 -20.73 58.36 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.859 0.864 . . . . 0.0 111.805 178.445 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -81.97 -29.03 39.48 Favored Glycine 0 C--N 1.334 0.443 0 N-CA-C 110.452 -1.059 . . . . 0.0 110.452 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -63.92 -35.12 79.63 Favored 'General case' 0 C--N 1.34 0.155 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 179.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 143.2 -21.44 2.27 Favored Glycine 0 CA--C 1.527 0.784 0 C-N-CA 124.249 0.928 . . . . 0.0 114.909 178.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -61.22 150.55 34.22 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.501 1.15 . . . . 0.0 113.962 -177.339 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.24 151.41 39.92 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 126.171 1.789 . . . . 0.0 112.194 -178.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -57.26 -41.92 80.6 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 123.605 0.762 . . . . 0.0 112.47 -179.197 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -67.26 -22.09 65.69 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -178.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -91.87 -43.95 9.21 Favored 'General case' 0 C--O 1.224 -0.247 0 C-N-CA 124.799 1.24 . . . . 0.0 108.908 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.425 HG13 ' HB2' ' B' ' 16' ' ' LEU . 77.4 t -62.5 -54.32 35.55 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 C-N-CA 124.046 0.938 . . . . 0.0 109.972 -179.331 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -55.86 -37.9 69.4 Favored 'General case' 0 CA--C 1.521 -0.14 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -65.48 -54.35 29.61 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.88 -40.41 76.15 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 124.095 0.958 . . . . 0.0 112.192 -179.417 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.59 -43.51 96.74 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 120.082 1.31 . . . . 0.0 110.56 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -61.88 -46.13 90.75 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-N 120.366 1.439 . . . . 0.0 110.213 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 71.5 mt -63.34 -32.21 55.66 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -87.45 9.56 20.39 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.966 2.106 . . . . 0.0 112.694 179.035 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 51.89 47.64 24.37 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.044 1.337 . . . . 0.0 110.158 -178.033 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 64.1 m-20 52.98 52.68 13.36 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 129.278 3.031 . . . . 0.0 112.06 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -129.46 114.6 16.34 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.92 0.888 . . . . 0.0 110.005 178.353 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.2 t -54.49 -44.33 67.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 125.985 1.714 . . . . 0.0 111.374 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -56.07 -38.29 70.45 Favored 'General case' 0 N--CA 1.458 -0.06 0 C-N-CA 123.424 0.69 . . . . 0.0 112.515 -178.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.578 HG11 HG11 ' A' ' 39' ' ' VAL . 57.4 t -87.63 -37.91 11.36 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 C-N-CA 123.145 0.578 . . . . 0.0 110.522 -179.715 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.89 -33.92 52.46 Favored 'General case' 0 C--N 1.344 0.352 0 CA-C-N 118.286 0.494 . . . . 0.0 111.248 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 30.5 mtt85 -55.99 -49.76 72.73 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 122.993 0.517 . . . . 0.0 111.699 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.5 m -63.54 -29.35 70.62 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 124.203 1.001 . . . . 0.0 112.24 -178.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 71.6 mt -74.88 -49.22 29.95 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 178.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 63.0 mt -58.64 -33.35 69.96 Favored 'General case' 0 C--N 1.339 0.14 0 C-N-CA 123.931 0.893 . . . . 0.0 109.77 179.473 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -64.42 -20.21 66.01 Favored 'General case' 0 N--CA 1.462 0.139 0 C-N-CA 124.62 1.168 . . . . 0.0 111.852 178.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -88.25 -57.88 2.76 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 106.74 -1.578 . . . . 0.0 106.74 177.427 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -62.86 -28.5 70.07 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 -177.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 42.6 t -108.47 -0.81 20.26 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 119.94 1.245 . . . . 0.0 111.697 179.485 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 63.78 -156.53 43.38 Favored Glycine 0 CA--C 1.539 1.569 0 CA-C-N 119.513 1.051 . . . . 0.0 110.757 -179.31 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -71.51 165.99 30.76 Favored 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 123.356 2.704 . . . . 0.0 110.793 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 16.8 m -144.07 143.12 31.01 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 125.258 1.423 . . . . 0.0 107.44 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 3.7 p -156.28 147.74 22.59 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 124.41 1.084 . . . . 0.0 110.306 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.496 -1.133 0 N-CA-C 105.577 -3.009 . . . . 0.0 105.577 179.686 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.721 0 N-CA-C 110.052 -1.219 . . . . 0.0 110.052 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.1 m -142.81 -168.87 2.88 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 125.185 1.394 . . . . 0.0 108.652 179.231 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 m -137.66 -164.54 1.62 Allowed 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 125.761 1.624 . . . . 0.0 108.259 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.34 30.84 8.83 Favored Glycine 0 CA--C 1.525 0.696 0 CA-C-O 118.79 -1.005 . . . . 0.0 110.896 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.4 m -142.58 161.13 38.87 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 126.151 1.78 . . . . 0.0 109.372 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 m -66.42 167.38 10.73 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.955 1.302 . . . . 0.0 110.279 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.19 -133.9 2.67 Favored Glycine 0 C--N 1.334 0.451 0 O-C-N 121.154 -0.966 . . . . 0.0 111.288 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -67.82 164.03 20.5 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 122.859 0.464 . . . . 0.0 110.621 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.0 t -127.31 -42.53 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 C-N-CA 125.072 1.349 . . . . 0.0 108.463 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.61 -53.25 58.83 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.027 0.931 . . . . 0.0 110.326 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.59 -10.42 12.13 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 179.292 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.9 mttt -93.98 -34.67 12.96 Favored 'General case' 0 C--O 1.227 -0.129 0 O-C-N 120.975 -1.078 . . . . 0.0 108.576 178.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 94.4 mt -63.31 -58.79 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.19 -33.9 63.42 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 122.073 -0.392 . . . . 0.0 111.462 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.6 tttp -61.12 -56.48 20.37 Favored 'General case' 0 C--N 1.34 0.16 0 C-N-CA 123.112 0.565 . . . . 0.0 110.595 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.61 -35.48 81.15 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 118.083 -0.96 . . . . 0.0 110.984 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 87.8 mtp -56.95 -35.12 68.74 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 177.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.17 -22.33 62.8 Favored Glycine 0 C--N 1.342 0.909 0 C-N-CA 125.679 1.609 . . . . 0.0 113.301 178.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -71.22 -19.92 62.32 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 119.266 1.533 . . . . 0.0 107.304 177.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.04 60.24 0.53 Allowed Glycine 0 C--N 1.34 0.787 0 C-N-CA 127.933 2.682 . . . . 0.0 112.639 179.119 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -138.75 158.97 43.25 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 124.875 1.27 . . . . 0.0 109.699 178.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.84 154.67 31.6 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.738 0.815 . . . . 0.0 110.651 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -56.58 -44.39 81.01 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 124.034 0.934 . . . . 0.0 113.298 -179.348 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -60.53 -39.96 89.77 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 123.773 0.829 . . . . 0.0 111.327 -178.132 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -69.58 -49.1 57.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 122.131 0.967 . . . . 0.0 108.982 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 83.1 t -59.87 -46.99 93.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 C-N-CA 123.856 0.862 . . . . 0.0 111.593 -178.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.1 ttpt -57.95 -36.5 72.63 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 119.134 -0.46 . . . . 0.0 109.931 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.3 tpt180 -70.09 -50.09 44.3 Favored 'General case' 0 C--N 1.339 0.146 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 179.162 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.27 -45.02 76.14 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 123.89 0.876 . . . . 0.0 111.573 -179.256 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.13 -31.82 73.2 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 117.364 -1.303 . . . . 0.0 111.176 179.618 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -66.23 -50.72 62.83 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 120.799 1.636 . . . . 0.0 108.614 179.48 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 76.4 mt -57.99 -49.69 80.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 C-N-CA 125.049 1.34 . . . . 0.0 108.426 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.405 ' HB2' HD12 ' A' ' 43' ' ' ILE . . . -65.3 12.43 0.05 OUTLIER 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 127.173 2.189 . . . . 0.0 115.556 -179.502 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 53.09 39.64 29.89 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 121.077 1.762 . . . . 0.0 108.648 -177.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 52.32 40.57 29.49 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 127.984 2.514 . . . . 0.0 111.488 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 42.1 t-20 -110.38 120.97 44.15 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 124.286 1.035 . . . . 0.0 110.224 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.8 t -58.5 -48.28 85.85 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 125.353 1.461 . . . . 0.0 110.878 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -48.2 -53.7 16.05 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 126.12 1.768 . . . . 0.0 111.5 -178.611 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.535 HG11 HG11 ' B' ' 39' ' ' VAL . 23.4 t -72.65 -44.9 59.44 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 C-N-CA 125.948 1.699 . . . . 0.0 111.477 -178.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.79 -32.7 60.52 Favored 'General case' 0 C--N 1.34 0.188 0 O-C-N 121.593 -0.692 . . . . 0.0 111.862 -179.304 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -55.72 -49.66 72.44 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.659 0.783 . . . . 0.0 110.083 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.2 m -71.05 -34.37 71.17 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 118.372 -0.823 . . . . 0.0 111.278 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.405 HD12 ' HB2' ' A' ' 33' ' ' ALA . 54.2 mt -59.61 -53.74 44.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-N 119.327 0.967 . . . . 0.0 108.459 179.163 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.3 mt -60.96 -29.96 69.96 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 122.791 0.436 . . . . 0.0 111.503 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -30.74 71.77 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 122.592 0.357 . . . . 0.0 111.012 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -91.63 -38.36 12.5 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 118.761 -0.638 . . . . 0.0 109.563 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -63.59 -49.88 71.61 Favored 'General case' 0 C--N 1.342 0.257 0 CA-C-N 119.12 0.873 . . . . 0.0 109.437 179.123 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.5 t -76.23 -85.74 0.05 Allowed 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 147.91 -169.91 28.63 Favored Glycine 0 CA--C 1.534 1.259 0 N-CA-C 106.805 -2.518 . . . . 0.0 106.805 -178.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -70.84 154.35 63.5 Favored 'Trans proline' 0 CA--C 1.535 0.547 0 C-N-CA 123.215 2.61 . . . . 0.0 111.876 179.029 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.5 m -68.87 169.73 10.98 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.802 0.841 . . . . 0.0 110.85 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 33.0 m -142.93 38.76 1.46 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.245 1.018 . . . . 0.0 110.673 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.012 0 N-CA-C 108.093 -2.003 . . . . 0.0 108.093 -179.61 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.697 0 N-CA-C 111.129 -0.789 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 42.7 m -138.69 93.95 2.78 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 107.027 -1.471 . . . . 0.0 107.027 179.443 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 48.7 m -81.7 149.26 28.58 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 178.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.44 29.66 0.12 Allowed Glycine 0 CA--C 1.525 0.713 0 C-N-CA 124.684 1.135 . . . . 0.0 111.068 -179.452 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 15.0 m -140.08 -170.83 3.05 Favored 'General case' 0 C--O 1.242 0.665 0 C-N-CA 125.361 1.464 . . . . 0.0 109.342 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 5.2 m -67.03 174.11 3.28 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.482 1.513 . . . . 0.0 111.753 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.92 -154.29 25.41 Favored Glycine 0 CA--C 1.525 0.698 0 O-C-N 120.455 -1.403 . . . . 0.0 112.553 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -55.03 153.06 6.85 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 124.711 1.204 . . . . 0.0 110.432 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 44.9 t -128.1 -41.03 0.82 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 123.673 0.789 . . . . 0.0 110.317 179.468 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -58.32 -42.43 86.73 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 118.722 0.692 . . . . 0.0 110.175 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.26 -37.42 85.42 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 122.072 -0.392 . . . . 0.0 110.538 178.611 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -62.6 -37.31 85.74 Favored 'General case' 0 C--N 1.341 0.202 0 C-N-CA 123.475 0.71 . . . . 0.0 110.111 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 65.3 mt -60.92 -59.87 3.57 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 N-CA-C 106.657 -1.609 . . . . 0.0 106.657 179.003 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.88 -38.13 64.44 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 50.1 tttp -54.27 -56.76 15.25 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 123.927 0.891 . . . . 0.0 108.758 179.014 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -67.5 -36.99 82.16 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-O 118.514 -0.755 . . . . 0.0 112.161 179.099 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 96.4 mtp -58.4 -36.93 74.32 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 119.624 1.102 . . . . 0.0 109.672 179.326 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.48 -23.38 60.34 Favored Glycine 0 CA--C 1.529 0.912 0 CA-C-O 118.849 -0.973 . . . . 0.0 111.892 179.076 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -63.43 -33.03 74.65 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 119.68 1.74 . . . . 0.0 107.911 178.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 130.79 1.74 4.96 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 126.393 1.949 . . . . 0.0 114.01 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -79.12 155.69 28.61 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 118.961 1.38 . . . . 0.0 111.654 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.12 158.14 32.08 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.72 0.808 . . . . 0.0 109.67 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -55.74 -44.57 77.7 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 -178.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -64.79 -32.49 74.2 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -177.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -67.4 -49.76 62.45 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 123.904 0.881 . . . . 0.0 109.995 -179.439 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 57.6 t -63.12 -50.38 79.54 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 C-N-CA 125.411 1.484 . . . . 0.0 113.647 -178.26 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -57.66 -38.28 74.81 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 119.488 -0.885 . . . . 0.0 110.014 -179.242 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -71.51 -39.16 70.98 Favored 'General case' 0 CA--C 1.528 0.097 0 O-C-N 124.379 1.049 . . . . 0.0 109.661 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.47 -47.79 84.06 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 118.482 0.583 . . . . 0.0 110.072 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.02 -31.37 72.22 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-O 118.042 -0.98 . . . . 0.0 109.943 179.233 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -64.62 -57.03 10.21 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 119.95 1.25 . . . . 0.0 108.62 178.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 84.6 mt -58.67 -45.33 90.88 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 124.018 0.927 . . . . 0.0 109.869 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.08 3.59 2.01 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.929 1.692 . . . . 0.0 114.695 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 56.54 48.03 17.45 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 123.068 1.413 . . . . 0.0 109.451 -178.221 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 61.08 17.27 7.87 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 129.091 2.956 . . . . 0.0 113.394 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 60.7 t-20 -88.0 119.62 28.55 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 120.042 1.292 . . . . 0.0 110.759 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 3.0 t -60.33 -41.21 86.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 C-N-CA 125.391 1.476 . . . . 0.0 112.111 179.618 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -70.43 -42.92 70.92 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 123.734 0.814 . . . . 0.0 112.115 -176.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.535 HG11 HG11 ' A' ' 39' ' ' VAL . 73.4 t -68.8 -40.52 81.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 177.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.86 -37.41 71.26 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 118.448 0.567 . . . . 0.0 109.493 178.67 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.36 -44.73 76.28 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.034 0.834 . . . . 0.0 109.663 178.54 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 9.4 m -73.51 -33.15 64.63 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.455 1.102 . . . . 0.0 112.02 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 62.6 mt -66.92 -49.76 70.97 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 179.177 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 11.9 mt -57.63 -31.82 66.63 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 123.644 0.777 . . . . 0.0 110.491 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.4 -17.73 63.69 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 124.625 1.17 . . . . 0.0 113.204 178.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -98.95 -45.76 5.85 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 119.693 1.133 . . . . 0.0 111.654 179.477 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -63.71 -53.26 54.01 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 118.96 0.8 . . . . 0.0 109.266 179.313 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 24.7 t -80.18 -76.54 0.22 Allowed 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 133.18 -160.74 24.02 Favored Glycine 0 CA--C 1.533 1.172 0 N-CA-C 108.829 -1.708 . . . . 0.0 108.829 -178.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -72.58 162.45 41.31 Favored 'Trans proline' 0 N--CA 1.456 -0.709 0 C-N-CA 122.139 1.893 . . . . 0.0 107.925 177.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 19.9 m -97.4 94.67 7.18 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 -179.23 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 11.2 m -75.65 60.85 1.29 Allowed 'General case' 0 C--O 1.238 0.481 0 C-N-CA 124.56 1.144 . . . . 0.0 112.91 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.671 0 N-CA-C 107.997 -2.041 . . . . 0.0 107.997 179.188 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.959 0 N-CA-C 109.203 -1.559 . . . . 0.0 109.203 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.1 p -159.49 62.97 0.38 Allowed 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 117.988 0.894 . . . . 0.0 112.8 -178.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.5 m -46.87 -49.15 20.72 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.83 -158.36 14.69 Favored Glycine 0 CA--C 1.531 1.05 0 CA-C-N 119.583 1.083 . . . . 0.0 112.46 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.2 m -56.38 157.91 4.66 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.834 0.854 . . . . 0.0 111.664 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.7 t -139.16 -88.37 0.21 Allowed 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 118.301 -0.857 . . . . 0.0 109.852 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.71 -128.78 1.2 Allowed Glycine 0 C--N 1.339 0.704 0 CA-C-N 120.5 1.5 . . . . 0.0 111.946 -179.262 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -36.19 129.57 0.69 Allowed 'General case' 0 C--O 1.234 0.284 0 C-N-CA 127.698 2.399 . . . . 0.0 114.678 -179.134 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.3 p -74.56 -34.14 34.4 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 N-CA-C 105.677 -1.972 . . . . 0.0 105.677 176.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.38 -50.43 40.21 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 129.87 3.268 . . . . 0.0 110.11 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.96 -20.44 57.62 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 125.484 1.514 . . . . 0.0 112.988 -179.577 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.3 mttp -93.59 -38.96 11.09 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 124.684 1.194 . . . . 0.0 108.117 178.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 73.5 mt -59.19 -54.47 33.84 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 179.102 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.44 -34.08 64.16 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.1 tptt -65.53 -56.31 13.02 Favored 'General case' 0 C--N 1.339 0.144 0 C-N-CA 124.438 1.095 . . . . 0.0 108.993 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.66 -38.52 90.64 Favored 'General case' 0 C--N 1.34 0.183 0 CA-C-O 118.267 -0.873 . . . . 0.0 112.234 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 86.7 mtp -57.06 -29.15 63.19 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.676 1.125 . . . . 0.0 110.194 179.48 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.01 -8.77 69.94 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 121.06 -1.025 . . . . 0.0 113.2 179.304 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -90.37 -8.21 51.28 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 119.57 1.685 . . . . 0.0 112.7 -179.401 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.61 48.66 0.84 Allowed Glycine 0 C--N 1.338 0.671 0 C-N-CA 124.4 1.0 . . . . 0.0 112.387 179.636 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -139.9 149.27 43.16 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 123.934 0.894 . . . . 0.0 109.804 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.09 159.66 26.03 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 123.5 0.72 . . . . 0.0 111.675 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -56.62 -45.11 81.67 Favored 'General case' 0 CA--C 1.53 0.188 0 O-C-N 121.903 -0.498 . . . . 0.0 111.333 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -62.45 -30.58 71.34 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.113 0.565 . . . . 0.0 112.325 -178.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -79.17 -49.67 12.19 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 124.652 1.181 . . . . 0.0 109.201 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 91.6 t -62.55 -50.24 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 C-N-CA 124.237 1.015 . . . . 0.0 110.73 -179.197 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -57.52 -38.05 74.04 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.4 tpt180 -65.3 -48.87 71.61 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.07 -48.62 80.92 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 122.935 0.494 . . . . 0.0 110.605 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -56.17 -46.86 79.16 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 117.58 -1.2 . . . . 0.0 110.584 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -55.67 -56.99 13.93 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.213 1.005 . . . . 0.0 109.396 179.22 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 94.4 mt -55.74 -46.64 79.76 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 124.344 1.057 . . . . 0.0 109.439 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.45 3.27 2.42 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.845 2.058 . . . . 0.0 114.361 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 53.94 47.09 24.25 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 122.684 1.23 . . . . 0.0 108.576 -177.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 47.23 62.12 2.56 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 129.821 3.248 . . . . 0.0 113.428 179.495 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 57.7 t-20 -133.06 120.63 21.56 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.178 0.991 . . . . 0.0 109.927 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.5 t -61.21 -42.69 94.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 125.213 1.405 . . . . 0.0 112.214 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -65.85 -19.72 65.98 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 124.301 1.04 . . . . 0.0 112.688 -177.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.675 HG11 HG11 ' B' ' 39' ' ' VAL . 45.6 t -99.86 -43.83 11.29 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 C-N-CA 125.118 1.367 . . . . 0.0 109.771 179.324 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.37 -31.33 69.12 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -54.51 -52.61 61.42 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.234 0.925 . . . . 0.0 111.129 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.2 m -61.44 -34.5 75.52 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 118.321 -0.847 . . . . 0.0 112.087 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 61.6 mt -62.31 -51.83 67.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-N 119.74 1.155 . . . . 0.0 108.445 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 21.4 mt -61.98 -32.83 73.32 Favored 'General case' 0 C--O 1.225 -0.221 0 C-N-CA 123.042 0.537 . . . . 0.0 110.78 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.7 mmt85 -65.6 -40.27 92.46 Favored 'General case' 0 C--O 1.226 -0.169 0 CA-C-N 118.506 0.594 . . . . 0.0 110.209 178.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -69.04 -51.66 36.69 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.285 0.493 . . . . 0.0 109.989 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -64.56 -53.37 48.9 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 118.478 0.581 . . . . 0.0 111.711 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.14 30.8 0.51 Allowed 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.685 1.194 . . . . 0.0 112.631 -178.788 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -49.13 -57.63 8.72 Favored Glycine 0 CA--C 1.533 1.196 0 CA-C-O 118.307 -1.274 . . . . 0.0 111.22 178.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -76.3 85.93 1.62 Allowed 'Trans proline' 0 N--CA 1.454 -0.795 0 C-N-CA 123.427 2.752 . . . . 0.0 113.378 -179.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.9 t -126.6 -77.08 0.58 Allowed 'General case' 0 C--O 1.238 0.463 0 O-C-N 121.274 -0.891 . . . . 0.0 111.804 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.1 m -118.69 89.46 3.13 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.851 1.26 . . . . 0.0 112.386 -178.367 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.879 0 CA-C-O 116.384 -2.342 . . . . 0.0 109.649 179.261 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.494 0 N-CA-C 110.377 -1.089 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 4.3 p -143.17 162.55 35.29 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.16 -39.44 2.35 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 123.162 0.585 . . . . 0.0 109.763 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.78 -135.94 4.59 Favored Glycine 0 C--N 1.336 0.57 0 CA-C-N 119.221 0.918 . . . . 0.0 111.313 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.96 -179.1 5.87 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.551 1.54 . . . . 0.0 109.598 -179.723 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 29.0 t -138.38 -161.34 1.17 Allowed 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 106.712 -1.588 . . . . 0.0 106.712 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.03 -82.52 1.34 Allowed Glycine 0 CA--C 1.529 0.912 0 CA-C-N 119.728 1.149 . . . . 0.0 113.534 -179.171 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -57.33 132.21 52.38 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 125.386 1.474 . . . . 0.0 113.971 -178.372 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 4.5 p -85.28 -35.06 9.29 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 C-N-CA 124.711 1.204 . . . . 0.0 108.457 178.188 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -54.32 -45.61 72.67 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 128.865 2.866 . . . . 0.0 110.76 -179.154 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.1 -36.61 68.35 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 125.128 1.371 . . . . 0.0 111.666 179.509 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 49.4 mttp -73.31 -42.61 62.17 Favored 'General case' 0 CA--C 1.518 -0.277 0 C-N-CA 124.47 1.108 . . . . 0.0 109.69 -179.351 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 87.2 mt -58.28 -52.98 52.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 179.141 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.21 -27.74 67.43 Favored 'General case' 0 CA--C 1.532 0.272 0 O-C-N 121.511 -0.743 . . . . 0.0 112.529 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 4.4 tptt -65.14 -66.33 0.56 Allowed 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 118.6 0.636 . . . . 0.0 110.048 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -60.63 -34.68 74.62 Favored 'General case' 0 C--O 1.224 -0.239 0 CA-C-O 118.114 -0.946 . . . . 0.0 111.466 -179.128 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 84.8 mtp -57.68 -28.21 63.58 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 119.856 1.207 . . . . 0.0 110.906 179.021 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -77.83 -20.17 74.07 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 121.249 -0.907 . . . . 0.0 112.637 179.227 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -78.9 -0.46 30.9 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.503 1.521 . . . . 0.0 112.542 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.28 46.16 2.06 Favored Glycine 0 C--N 1.338 0.656 0 CA-C-O 118.621 -1.099 . . . . 0.0 113.73 179.117 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -140.31 149.13 42.39 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 117.974 0.887 . . . . 0.0 109.71 178.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.82 162.03 26.37 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 123.66 0.784 . . . . 0.0 111.694 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -54.82 -46.26 74.55 Favored 'General case' 0 N--CA 1.461 0.108 0 C-N-CA 124.095 0.958 . . . . 0.0 112.199 -179.448 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -57.01 -51.42 69.34 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 122.987 0.515 . . . . 0.0 111.163 -179.055 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -56.92 -50.78 71.52 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 125.663 1.585 . . . . 0.0 110.788 -179.09 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 72.8 t -62.08 -56.76 15.58 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 C-N-CA 124.334 1.054 . . . . 0.0 110.903 -178.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 23.2 ttpt -57.22 -36.19 70.58 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 118.152 0.433 . . . . 0.0 110.238 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -64.03 -51.18 65.41 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.28 -44.05 95.68 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 123.439 0.696 . . . . 0.0 112.27 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -65.82 -34.72 78.8 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 119.792 1.178 . . . . 0.0 111.032 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -62.0 -44.08 97.49 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 119.54 1.064 . . . . 0.0 108.963 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 79.4 mt -67.74 -48.54 75.53 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 C-N-CA 125.347 1.459 . . . . 0.0 108.455 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.86 14.76 0.1 Allowed 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 129.107 2.963 . . . . 0.0 115.842 -179.352 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' GLN . . . . . 0.457 ' HG3' HG22 ' A' ' 39' ' ' VAL . 5.6 mm100 53.0 37.48 24.78 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 120.629 1.559 . . . . 0.0 111.257 -178.575 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 54.95 54.28 9.22 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 126.469 1.908 . . . . 0.0 110.464 -179.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 42.1 t-20 -130.8 115.78 17.07 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 124.354 1.062 . . . . 0.0 109.557 179.345 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 48.7 t -57.25 -41.64 78.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 C-N-CA 125.588 1.555 . . . . 0.0 110.884 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -57.29 -28.56 63.13 Favored 'General case' 0 C--N 1.334 -0.09 0 C-N-CA 125.293 1.437 . . . . 0.0 112.45 -178.444 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.675 HG11 HG11 ' A' ' 39' ' ' VAL . 97.6 t -99.4 -43.81 11.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 C-N-CA 123.728 0.811 . . . . 0.0 110.68 -178.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.57 -32.48 51.01 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 118.602 0.637 . . . . 0.0 110.81 179.488 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -56.05 -41.91 75.76 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.186 1.395 . . . . 0.0 110.667 178.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 8.4 m -77.58 -33.14 54.01 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.974 0.91 . . . . 0.0 110.927 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 67.3 mt -65.6 -49.07 80.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 31.9 mt -59.15 -31.27 68.82 Favored 'General case' 0 C--O 1.224 -0.275 0 C-N-CA 123.332 0.653 . . . . 0.0 110.462 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.8 -25.33 66.41 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 118.42 0.555 . . . . 0.0 111.745 179.001 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -80.6 -57.79 3.41 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.219 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -63.06 -49.39 74.7 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 123.928 0.891 . . . . 0.0 112.554 -178.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 8.1 t -90.48 52.14 2.15 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 179.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -73.33 -66.68 1.96 Allowed Glycine 0 CA--C 1.527 0.791 0 N-CA-C 107.861 -2.096 . . . . 0.0 107.861 178.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.08 105.39 1.69 Allowed 'Trans proline' 0 N--CA 1.453 -0.898 0 C-N-CA 122.614 2.209 . . . . 0.0 109.548 179.47 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 32.0 t -149.23 -50.58 0.15 Allowed 'General case' 0 C--O 1.235 0.313 0 C-N-CA 123.887 0.875 . . . . 0.0 109.759 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 36.8 p -151.19 25.57 0.71 Allowed 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -178.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.029 0 N-CA-C 106.121 -2.792 . . . . 0.0 106.121 -179.817 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.772 0 N-CA-C 110.366 -1.094 . . . . 0.0 110.366 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.7 m -158.84 -73.7 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 O-C-N 121.069 -1.254 . . . . 0.0 108.776 179.15 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.2 m -67.04 -68.64 0.36 Allowed 'General case' 0 C--O 1.235 0.332 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 -178.438 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.0 176.11 40.25 Favored Glycine 0 CA--C 1.534 1.22 0 N-CA-C 109.035 -1.626 . . . . 0.0 109.035 -177.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 t -134.81 126.83 29.65 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 106.134 -1.802 . . . . 0.0 106.134 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.4 m 59.8 179.99 0.09 Allowed 'General case' 0 C--O 1.241 0.635 0 C-N-CA 125.099 1.36 . . . . 0.0 111.933 -177.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.39 -104.81 0.36 Allowed Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 105.908 -2.877 . . . . 0.0 105.908 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -65.06 164.76 12.29 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 116.913 0.356 . . . . 0.0 110.782 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.7 t -131.7 -62.74 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 C-N-CA 124.841 1.257 . . . . 0.0 108.792 -179.154 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.83 -34.65 71.78 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 120.977 -1.077 . . . . 0.0 111.221 -179.728 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.8 -16.69 59.21 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.822 0.849 . . . . 0.0 112.017 179.09 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 45.1 mttp -93.78 -34.78 13.06 Favored 'General case' 0 CA--C 1.517 -0.294 0 C-N-CA 124.864 1.266 . . . . 0.0 109.966 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.5 mt -58.8 -56.07 19.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.13 0 N-CA-C 107.019 -1.474 . . . . 0.0 107.019 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.91 -27.02 64.86 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 118.01 0.368 . . . . 0.0 111.93 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.0 tptt -67.03 -62.2 1.55 Allowed 'General case' 0 C--N 1.34 0.164 0 C-N-CA 124.028 0.931 . . . . 0.0 109.318 179.206 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.56 -35.44 76.06 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 118.411 0.55 . . . . 0.0 109.946 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 71.1 mmm -60.69 -24.94 66.01 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.508 -0.745 . . . . 0.0 110.191 178.256 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.8 -12.61 84.38 Favored Glycine 0 CA--C 1.525 0.694 0 C-N-CA 125.268 1.414 . . . . 0.0 111.855 179.111 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -80.42 -51.69 8.53 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 106.109 -1.811 . . . . 0.0 106.109 178.338 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 134.12 64.9 0.07 OUTLIER Glycine 0 C--N 1.336 0.546 0 C-N-CA 124.316 0.96 . . . . 0.0 111.489 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -135.51 152.05 50.95 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 125.828 1.651 . . . . 0.0 107.389 178.393 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.47 149.83 36.74 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 119.017 0.826 . . . . 0.0 109.523 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -49.85 -42.18 46.89 Favored 'General case' 0 CA--C 1.518 -0.259 0 C-N-CA 126.219 1.807 . . . . 0.0 113.8 -178.25 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -64.83 -41.45 95.73 Favored 'General case' 0 N--CA 1.449 -0.506 0 O-C-N 123.183 0.302 . . . . 0.0 111.21 -178.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -66.31 -46.77 75.8 Favored 'General case' 0 CA--C 1.517 -0.29 0 C-N-CA 126.187 1.795 . . . . 0.0 108.424 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.1 t -58.74 -57.06 12.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 123.921 0.889 . . . . 0.0 110.021 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.6 mtpt -58.21 -35.42 71.63 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 118.883 -0.579 . . . . 0.0 111.111 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -68.04 -53.22 27.38 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 -179.324 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.63 -44.12 76.83 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 123.899 0.879 . . . . 0.0 110.498 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.46 -39.97 92.81 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 116.774 -1.584 . . . . 0.0 110.163 179.216 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -64.58 -52.25 58.58 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 120.869 1.668 . . . . 0.0 109.544 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 94.5 mt -53.74 -46.38 62.34 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 124.26 1.024 . . . . 0.0 108.33 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.97 9.55 0.53 Allowed 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 126.765 2.026 . . . . 0.0 114.34 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 56.28 31.76 19.12 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 120.605 1.548 . . . . 0.0 110.605 -178.583 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 12.5 m120 65.18 28.62 12.1 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 130.126 3.37 . . . . 0.0 112.105 -178.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 56.2 t-20 -98.27 121.81 40.66 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 120.64 -1.287 . . . . 0.0 109.582 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 24.9 t -61.4 -46.09 97.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 CA-C-N 119.014 0.824 . . . . 0.0 110.525 179.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -59.93 -30.8 69.3 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 113.113 0.783 . . . . 0.0 113.113 -178.105 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.901 HG11 HG11 ' B' ' 39' ' ' VAL . 25.8 t -87.7 -39.18 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.67 -31.53 70.77 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 123.613 0.765 . . . . 0.0 110.93 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 48.3 mtt180 -54.79 -54.65 39.36 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 124.002 0.921 . . . . 0.0 108.624 178.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.5 m -58.14 -40.92 82.53 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.629 0.772 . . . . 0.0 112.25 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 72.8 mt -61.4 -49.5 84.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 C-N-CA 123.516 0.726 . . . . 0.0 109.52 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 24.4 mt -61.42 -29.28 69.84 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 117.764 -1.112 . . . . 0.0 111.163 -179.258 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 67.4 mtt180 -67.35 -32.54 73.56 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 120.112 1.324 . . . . 0.0 110.589 178.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -75.22 -44.49 45.98 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 119.267 -0.397 . . . . 0.0 110.396 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -70.85 -52.53 19.74 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 118.467 0.576 . . . . 0.0 111.417 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 35.1 t -85.08 75.51 10.35 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 124.7 1.2 . . . . 0.0 108.663 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -77.92 -178.84 49.36 Favored Glycine 0 CA--C 1.537 1.438 0 N-CA-C 108.185 -1.966 . . . . 0.0 108.185 177.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -58.68 139.95 92.88 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.759 1.64 . . . . 0.0 108.063 178.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.53 35.65 0.79 Allowed 'General case' 0 C--O 1.241 0.624 0 CA-C-O 121.261 0.553 . . . . 0.0 111.473 -178.53 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.2 t 63.91 170.88 0.17 Allowed 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 126.058 1.743 . . . . 0.0 111.213 -179.397 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.232 0 C-N-CA 128.679 3.038 . . . . 0.0 105.837 -179.811 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.76 0 N-CA-C 110.575 -1.01 . . . . 0.0 110.575 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 70.8 m -129.14 -13.23 4.52 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.749 1.619 . . . . 0.0 113.431 -179.54 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 23.4 m -132.61 -53.16 0.94 Allowed 'General case' 0 C--O 1.234 0.273 0 C-N-CA 124.059 0.943 . . . . 0.0 110.401 -179.568 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.49 -166.89 54.77 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 123.32 0.486 . . . . 0.0 112.342 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 8.8 t -145.26 136.84 25.29 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 105.675 -1.972 . . . . 0.0 105.675 179.533 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 67.2 m 60.19 174.28 0.09 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.605 1.562 . . . . 0.0 112.095 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.61 -134.03 4.96 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 109.021 -1.632 . . . . 0.0 109.021 -179.476 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -65.25 168.61 6.68 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.647 1.179 . . . . 0.0 109.43 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 19.5 t -127.16 -39.3 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 C-N-CA 122.972 0.509 . . . . 0.0 110.088 179.366 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.93 -46.64 89.89 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 121.344 -0.847 . . . . 0.0 109.924 -179.39 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.47 -14.19 55.76 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.826 -0.546 . . . . 0.0 111.682 178.24 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 54.2 mttp -87.75 -46.48 9.44 Favored 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 106.703 -1.591 . . . . 0.0 106.703 178.111 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 67.8 mt -57.48 -52.41 57.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 N-CA-C 106.595 -1.632 . . . . 0.0 106.595 178.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.45 -12.77 16.04 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 25.6 tptt -79.73 -62.72 1.6 Allowed 'General case' 0 C--O 1.233 0.196 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 178.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -58.39 -33.56 69.76 Favored 'General case' 0 C--O 1.224 -0.268 0 C-N-CA 123.715 0.806 . . . . 0.0 110.446 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 63.0 mmm -56.2 -23.26 34.36 Favored 'General case' 0 CA--C 1.535 0.365 0 CA-C-N 118.568 0.622 . . . . 0.0 111.94 178.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -84.12 -20.76 58.53 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 121.005 -1.059 . . . . 0.0 112.253 178.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -78.89 -2.74 41.3 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 125.524 1.53 . . . . 0.0 113.962 -178.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.5 42.31 3.2 Favored Glycine 0 CA--C 1.53 0.987 0 CA-C-O 119.28 -0.733 . . . . 0.0 113.232 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -126.99 153.93 45.26 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 118.202 1.001 . . . . 0.0 109.516 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.34 148.82 30.5 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.032 0.933 . . . . 0.0 111.946 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -54.27 -42.44 69.99 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 123.729 0.811 . . . . 0.0 111.261 -179.337 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -55.75 -56.57 18.89 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.33 1.052 . . . . 0.0 109.28 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -59.56 -47.1 86.85 Favored 'General case' 0 CA--C 1.517 -0.301 0 C-N-CA 126.317 1.847 . . . . 0.0 111.159 -179.373 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 69.9 t -59.99 -53.39 49.27 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 C-N-CA 123.293 0.637 . . . . 0.0 110.024 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 4.4 mtpt -58.51 -39.09 79.12 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 179.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -63.12 -54.54 36.15 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.508 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.81 -45.34 70.76 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 125.646 1.578 . . . . 0.0 111.391 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.0 -41.57 96.77 Favored 'General case' 0 C--N 1.34 0.172 0 CA-C-N 120.016 1.28 . . . . 0.0 111.502 -179.569 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -60.49 -45.53 93.42 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 119.151 0.887 . . . . 0.0 111.124 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 54.5 mt -65.16 -49.31 79.87 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 C-N-CA 126.055 1.742 . . . . 0.0 107.891 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.456 ' HA ' HG13 ' A' ' 39' ' ' VAL . . . -66.17 13.18 0.05 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 129.244 3.018 . . . . 0.0 115.162 -179.533 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 34' ' ' GLN . . . . . 0.423 ' HG3' HG22 ' A' ' 39' ' ' VAL . 2.7 mm100 55.65 33.14 20.66 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 120.653 1.569 . . . . 0.0 110.114 -178.272 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 59.16 48.68 10.16 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 128.166 2.587 . . . . 0.0 109.798 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 -126.21 118.87 26.07 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 124.57 1.148 . . . . 0.0 111.377 -179.38 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.47 -41.78 88.84 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.143 0 C-N-CA 124.607 1.163 . . . . 0.0 110.087 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -58.98 -24.5 62.73 Favored 'General case' 0 C--O 1.231 0.105 0 C-N-CA 123.522 0.729 . . . . 0.0 112.774 -178.174 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.901 HG11 HG11 ' A' ' 39' ' ' VAL . 25.9 t -99.85 -39.83 7.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.251 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.411 ' HA ' HD12 ' B' ' 43' ' ' ILE . . . -54.53 -33.03 59.29 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.163 0.585 . . . . 0.0 111.051 179.457 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 52.4 mtt180 -56.01 -51.95 65.95 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 178.443 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.6 m -59.55 -35.77 74.86 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.702 1.201 . . . . 0.0 113.708 -179.604 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.411 HD12 ' HA ' ' B' ' 40' ' ' ALA . 75.3 mt -65.68 -55.68 18.6 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 C-N-CA 124.641 1.176 . . . . 0.0 108.749 -179.551 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 42.6 mt -57.41 -30.25 64.8 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 124.38 1.072 . . . . 0.0 112.261 -178.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -64.72 -32.76 74.58 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 119.054 0.843 . . . . 0.0 110.943 178.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -83.08 -48.99 10.0 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-O 118.992 -0.528 . . . . 0.0 110.648 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -63.95 -51.91 62.2 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 118.417 0.553 . . . . 0.0 111.685 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.93 61.23 6.71 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.548 1.139 . . . . 0.0 108.545 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.25 -179.55 12.92 Favored Glycine 0 CA--C 1.533 1.21 0 C-N-CA 125.138 1.352 . . . . 0.0 112.465 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -60.73 110.63 0.86 Allowed 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 123.612 2.875 . . . . 0.0 111.241 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 19.4 t -120.71 16.86 11.94 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.163 1.785 . . . . 0.0 111.496 -179.223 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 3.9 t 63.14 171.76 0.15 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 127.3 2.24 . . . . 0.0 113.777 179.263 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.017 0 N-CA-C 107.244 -2.342 . . . . 0.0 107.244 -179.495 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.129 0 N-CA-C 110.598 -1.001 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 m -59.91 132.6 54.45 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 179.365 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 m 79.25 -6.54 1.85 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 127.493 2.317 . . . . 0.0 112.351 -178.576 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.89 150.46 51.53 Favored Glycine 0 CA--C 1.527 0.806 0 C-N-CA 124.325 0.964 . . . . 0.0 114.82 -178.661 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.1 t -167.18 149.73 6.17 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 126.273 1.829 . . . . 0.0 108.232 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.0 t -140.13 148.43 41.66 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 126.858 2.063 . . . . 0.0 105.548 178.459 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.54 -70.12 0.39 Allowed Glycine 0 CA--C 1.523 0.578 0 CA-C-O 119.359 -0.689 . . . . 0.0 112.667 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -83.44 171.21 13.67 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 118.521 1.16 . . . . 0.0 111.343 -179.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 64.5 t -136.08 -53.92 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 C-N-CA 123.969 0.908 . . . . 0.0 110.563 -179.314 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -60.74 -37.76 82.85 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 119.996 1.271 . . . . 0.0 111.785 -179.103 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.89 -12.51 25.56 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.475 0.71 . . . . 0.0 112.235 178.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.4 mttt -95.19 -44.72 7.5 Favored 'General case' 0 C--O 1.222 -0.342 0 C-N-CA 126.357 1.863 . . . . 0.0 107.668 178.27 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.8 mt -58.18 -54.15 36.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 178.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.75 -27.91 63.46 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 122.472 0.309 . . . . 0.0 111.585 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.7 tptp -67.38 -63.63 1.02 Allowed 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.359 1.064 . . . . 0.0 108.654 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.99 -36.99 78.38 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-O 118.28 -0.866 . . . . 0.0 110.808 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 78.4 mtp -58.4 -27.19 64.05 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 120.059 1.3 . . . . 0.0 110.406 178.557 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.93 -15.44 79.7 Favored Glycine 0 CA--C 1.526 0.77 0 O-C-N 121.222 -0.924 . . . . 0.0 111.7 178.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -82.96 -0.92 50.87 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 119.427 1.614 . . . . 0.0 112.166 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.08 60.84 0.95 Allowed Glycine 0 C--N 1.338 0.653 0 C-N-CA 125.65 1.595 . . . . 0.0 112.807 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -146.42 149.83 34.46 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 117.751 0.775 . . . . 0.0 110.482 179.364 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.35 157.09 30.84 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 123.854 0.862 . . . . 0.0 108.925 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -57.8 -41.84 82.97 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 121.493 -0.754 . . . . 0.0 113.018 -178.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -58.92 -45.81 89.45 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 119.044 0.838 . . . . 0.0 111.944 -178.614 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -64.88 -49.28 71.1 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 125.344 1.458 . . . . 0.0 109.94 -179.235 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.8 t -59.32 -47.65 89.76 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.226 0 C-N-CA 123.98 0.912 . . . . 0.0 110.426 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.2 tttt -60.24 -39.3 86.23 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 118.741 -0.647 . . . . 0.0 109.908 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -61.8 -54.06 47.39 Favored 'General case' 0 C--N 1.342 0.274 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 -179.415 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.83 -46.75 84.28 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 123.335 0.654 . . . . 0.0 112.201 -179.563 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -60.99 -45.83 93.2 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.967 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -56.61 -51.98 66.61 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.796 0.838 . . . . 0.0 109.872 179.664 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 69.6 mt -57.67 -45.89 86.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.412 ' HA ' HG13 ' B' ' 39' ' ' VAL . . . -72.32 10.65 0.74 Allowed 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 55.19 37.56 29.08 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 121.903 2.138 . . . . 0.0 108.498 -177.68 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 54.33 48.78 19.96 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 127.711 2.404 . . . . 0.0 110.322 -178.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -115.7 103.91 11.16 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 124.484 1.113 . . . . 0.0 109.894 -179.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 24.9 t -48.28 -48.02 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 125.801 1.64 . . . . 0.0 112.157 -179.439 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -56.35 -28.44 59.07 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.409 1.084 . . . . 0.0 113.281 -179.009 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.683 HG11 HG11 ' B' ' 39' ' ' VAL . 94.9 t -99.36 -38.53 6.94 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-N 118.628 0.649 . . . . 0.0 110.024 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.62 -35.29 65.71 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 123.533 0.733 . . . . 0.0 110.888 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -59.66 -48.39 81.85 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.108 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.7 m -64.06 -34.64 78.48 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 123.307 0.643 . . . . 0.0 110.958 179.491 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 88.9 mt -64.71 -53.81 37.63 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 179.01 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 29.7 mt -58.82 -29.69 67.08 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 123.186 0.594 . . . . 0.0 110.196 179.121 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -65.19 -40.46 94.27 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 117.747 -1.12 . . . . 0.0 110.831 178.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -70.22 -46.47 64.44 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 119.609 1.095 . . . . 0.0 109.924 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -63.3 -30.4 71.54 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 122.431 0.293 . . . . 0.0 110.4 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.0 t -115.2 51.34 0.92 Allowed 'General case' 0 C--O 1.237 0.418 0 C-N-CA 126.506 1.922 . . . . 0.0 108.433 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -160.71 -172.99 28.74 Favored Glycine 0 CA--C 1.527 0.782 0 C-N-CA 124.244 0.926 . . . . 0.0 111.076 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -77.56 174.25 12.95 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 124.54 3.494 . . . . 0.0 112.18 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 m 59.8 176.47 0.09 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.304 1.842 . . . . 0.0 112.289 179.407 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.4 p -151.35 -171.25 3.88 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 123.875 0.87 . . . . 0.0 109.8 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.182 0 N-CA-C 106.208 -2.757 . . . . 0.0 106.208 179.632 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.652 0 CA-C-O 118.54 -1.144 . . . . 0.0 110.431 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 22.2 m -59.22 139.73 56.66 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 178.499 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 50.0 m 62.57 0.74 0.67 Allowed 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.935 1.294 . . . . 0.0 114.385 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.67 165.68 53.54 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 34.6 t -168.38 179.36 4.46 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 125.198 1.399 . . . . 0.0 107.436 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -157.63 132.01 8.37 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 102.673 -3.084 . . . . 0.0 102.673 178.179 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.34 -105.45 0.23 Allowed Glycine 0 CA--C 1.521 0.449 0 CA-C-O 118.985 -0.897 . . . . 0.0 111.829 -179.386 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -59.07 162.41 4.35 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 124.51 1.124 . . . . 0.0 112.535 -178.559 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 42.1 t -125.28 -57.15 2.01 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.088 0 C-N-CA 123.732 0.813 . . . . 0.0 112.402 -178.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -53.3 -39.71 64.21 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 119.274 0.943 . . . . 0.0 112.085 -178.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.09 -34.2 77.5 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.434 0.694 . . . . 0.0 111.408 178.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 51.7 mttp -69.99 -40.67 75.16 Favored 'General case' 0 CA--C 1.521 -0.141 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.4 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 69.4 mt -60.04 -49.31 84.52 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.128 0 N-CA-C 106.492 -1.67 . . . . 0.0 106.492 178.5 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.74 -41.93 78.36 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 118.085 0.402 . . . . 0.0 110.481 179.008 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 9.8 tptp -55.9 -51.27 68.19 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 123.217 0.607 . . . . 0.0 110.341 179.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -69.58 -45.75 67.94 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 117.92 -1.038 . . . . 0.0 111.325 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 87.4 mtp -53.4 -38.6 63.58 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 119.758 1.163 . . . . 0.0 110.102 179.353 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.58 -16.89 38.87 Favored Glycine 0 CA--C 1.529 0.927 0 CA-C-O 118.157 -1.357 . . . . 0.0 113.219 179.47 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -89.74 -9.33 49.77 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 120.19 1.995 . . . . 0.0 110.166 178.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.78 66.58 0.81 Allowed Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 124.68 1.134 . . . . 0.0 113.512 178.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -143.03 152.11 41.55 Favored 'General case' 0 C--O 1.24 0.574 0 N-CA-C 107.104 -1.443 . . . . 0.0 107.104 177.517 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.6 149.31 38.3 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 123.313 0.645 . . . . 0.0 110.478 -179.584 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -54.83 -41.93 71.28 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.05 0.54 . . . . 0.0 112.113 -179.4 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -62.65 -41.0 98.79 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 118.313 0.506 . . . . 0.0 111.895 -178.546 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -67.45 -49.24 64.53 Favored 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 125.984 1.714 . . . . 0.0 109.337 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 84.8 t -59.69 -50.88 78.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 114.224 -1.353 . . . . 0.0 109.913 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 65.0 tttt -56.08 -40.46 73.66 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 25.4 tpt180 -65.97 -48.52 71.01 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.77 -48.6 77.5 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.347 1.059 . . . . 0.0 111.648 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.55 -37.51 87.8 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-O 118.421 -0.799 . . . . 0.0 110.169 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -60.26 -49.63 76.83 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 124.011 0.924 . . . . 0.0 109.573 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 64.8 mt -61.69 -49.17 85.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 179.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.29 4.91 1.11 Allowed 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 126.308 1.843 . . . . 0.0 114.791 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 51.59 43.08 30.0 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 120.577 1.535 . . . . 0.0 109.807 -178.188 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 57.68 52.03 8.71 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 128.966 2.906 . . . . 0.0 111.179 -179.435 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -116.63 114.28 23.87 Favored 'General case' 0 CA--C 1.527 0.092 0 N-CA-C 107.332 -1.358 . . . . 0.0 107.332 178.612 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 40.7 t -59.42 -43.64 90.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 C-N-CA 124.958 1.303 . . . . 0.0 112.926 -178.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -61.43 -55.36 32.21 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 123.737 0.815 . . . . 0.0 110.543 -178.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.683 HG11 HG11 ' A' ' 39' ' ' VAL . 58.5 t -62.25 -42.07 93.91 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 C-N-CA 123.358 0.663 . . . . 0.0 109.287 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.22 -35.82 70.14 Favored 'General case' 0 C--N 1.343 0.3 0 CA-C-N 118.935 0.788 . . . . 0.0 110.138 179.165 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -58.35 -55.96 28.22 Favored 'General case' 0 C--N 1.342 0.252 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 178.497 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 20.3 m -60.92 -35.47 76.77 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.059 0.943 . . . . 0.0 111.464 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 62.0 mt -63.38 -55.43 23.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-N 119.692 1.133 . . . . 0.0 108.312 179.115 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 20.4 mt -59.99 -26.52 66.11 Favored 'General case' 0 C--O 1.226 -0.179 0 C-N-CA 122.943 0.497 . . . . 0.0 110.184 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -34.57 77.85 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 117.924 -1.036 . . . . 0.0 111.741 179.598 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -82.98 -46.84 12.41 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 123.757 0.823 . . . . 0.0 110.32 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -63.6 -36.55 84.17 Favored 'General case' 0 C--N 1.341 0.205 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 -179.505 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 3.0 t -117.43 72.77 0.85 Allowed 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 125.72 1.608 . . . . 0.0 107.274 -179.118 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 171.7 -176.81 44.77 Favored Glycine 0 CA--C 1.527 0.828 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -78.12 175.79 10.73 Favored 'Trans proline' 0 N--CA 1.455 -0.749 0 C-N-CA 123.557 2.838 . . . . 0.0 110.003 179.313 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 9.3 m 77.21 137.17 0.06 Allowed 'General case' 0 C--O 1.234 0.289 0 C-N-CA 127.047 2.139 . . . . 0.0 110.799 179.41 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 34.8 p -127.65 -170.38 2.22 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 124.792 1.237 . . . . 0.0 110.271 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.785 0 N-CA-C 105.332 -3.107 . . . . 0.0 105.332 179.236 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.757 0 N-CA-C 109.88 -1.288 . . . . 0.0 109.88 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.1 m -152.59 154.66 35.83 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.606 1.562 . . . . 0.0 109.66 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.9 t -159.0 90.83 1.0 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.288 1.435 . . . . 0.0 107.632 178.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.34 1.35 72.8 Favored Glycine 0 CA--C 1.529 0.93 0 C-N-CA 123.603 0.621 . . . . 0.0 111.944 179.497 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -73.44 176.71 5.81 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 126.018 1.727 . . . . 0.0 112.125 -179.21 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -122.57 -149.9 0.44 Allowed 'General case' 0 C--O 1.237 0.406 0 N-CA-C 106.229 -1.767 . . . . 0.0 106.229 179.102 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.81 -4.73 6.13 Favored Glycine 0 CA--C 1.523 0.577 0 C-N-CA 125.156 1.36 . . . . 0.0 112.532 179.408 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -145.38 154.4 42.25 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 119.027 1.413 . . . . 0.0 109.474 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 62.6 t -133.15 -55.66 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.175 0 C-N-CA 127.146 2.178 . . . . 0.0 107.657 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -57.32 -47.82 80.56 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 123.638 0.775 . . . . 0.0 111.261 -179.197 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.08 -9.8 18.48 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 179.186 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 53.3 mttt -91.05 -33.07 15.65 Favored 'General case' 0 C--O 1.227 -0.108 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 178.284 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.4 mt -59.88 -57.73 10.39 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 177.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.94 -17.3 36.71 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.126 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -74.75 -65.01 0.92 Allowed 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 178.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -59.15 -37.09 76.44 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 118.066 -0.969 . . . . 0.0 112.677 -178.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 91.6 mtp -55.59 -35.71 66.09 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.558 1.072 . . . . 0.0 110.392 179.158 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.32 -12.55 66.3 Favored Glycine 0 C--N 1.341 0.829 0 C-N-CA 123.831 0.729 . . . . 0.0 113.127 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -86.97 0.53 54.99 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.073 1.437 . . . . 0.0 110.222 178.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.6 53.84 1.9 Allowed Glycine 0 C--N 1.337 0.59 0 C-N-CA 125.887 1.708 . . . . 0.0 113.996 178.458 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -136.57 158.86 43.45 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 124.273 1.029 . . . . 0.0 109.756 178.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.44 150.49 23.12 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 122.825 0.45 . . . . 0.0 110.101 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -51.74 -43.43 62.9 Favored 'General case' 0 CA--C 1.521 -0.159 0 C-N-CA 124.919 1.287 . . . . 0.0 113.518 -178.513 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -61.02 -41.34 96.36 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 118.239 0.472 . . . . 0.0 111.62 -177.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -70.79 -38.9 73.41 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 124.357 1.063 . . . . 0.0 109.483 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 79.8 t -64.02 -43.86 97.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 O-C-N 121.118 -0.989 . . . . 0.0 109.13 179.379 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -61.45 -32.32 72.29 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.455 -0.778 . . . . 0.0 110.063 179.284 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.3 tpt180 -71.82 -50.2 31.82 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.358 1.063 . . . . 0.0 108.834 178.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.06 -49.11 78.04 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 124.911 1.284 . . . . 0.0 113.158 -178.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.06 -34.28 77.73 Favored 'General case' 0 C--N 1.34 0.184 0 CA-C-O 117.844 -1.074 . . . . 0.0 111.882 -178.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -58.71 -53.17 61.37 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 119.431 1.014 . . . . 0.0 108.91 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 65.1 mt -59.44 -48.03 88.61 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.448 ' HA ' HG13 ' B' ' 39' ' ' VAL . . . -69.44 10.18 0.37 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.531 1.933 . . . . 0.0 116.006 -179.315 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 52.1 42.8 30.74 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 121.546 1.976 . . . . 0.0 110.092 -178.004 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 51.47 44.37 29.05 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 126.434 1.894 . . . . 0.0 111.441 -178.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -115.6 114.3 24.73 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 178.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 27.8 t -55.27 -45.47 77.69 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 C-N-CA 124.424 1.09 . . . . 0.0 110.424 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -52.39 -37.79 57.35 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.918 1.287 . . . . 0.0 112.818 -178.36 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.775 HG11 HG11 ' B' ' 39' ' ' VAL . 98.3 t -90.43 -39.6 12.11 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.186 0 C-N-CA 123.216 0.607 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.35 -34.11 66.3 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 118.788 0.722 . . . . 0.0 110.194 179.462 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -56.89 -53.53 56.86 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 107.486 -1.302 . . . . 0.0 107.486 178.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.6 m -59.23 -48.03 83.13 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 124.304 1.042 . . . . 0.0 110.824 179.232 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 56.1 mt -53.83 -46.61 63.56 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 C-N-CA 123.255 0.622 . . . . 0.0 110.699 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.6 mt -65.46 -20.12 66.22 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 118.574 -0.727 . . . . 0.0 111.951 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.7 mtp180 -67.0 -35.45 79.97 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 119.941 1.246 . . . . 0.0 108.109 178.171 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -82.6 -44.69 15.5 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 119.128 -0.463 . . . . 0.0 111.298 178.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -68.71 -22.88 64.32 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -179.078 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.6 t -135.67 -118.15 0.17 Allowed 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 104.536 -2.394 . . . . 0.0 104.536 179.085 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 140.51 -165.4 26.1 Favored Glycine 0 CA--C 1.532 1.129 0 CA-C-N 120.123 1.329 . . . . 0.0 110.284 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -76.8 134.44 14.89 Favored 'Trans proline' 0 CA--C 1.538 0.698 0 C-N-CA 124.022 3.148 . . . . 0.0 108.96 179.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.0 m -141.62 103.53 4.39 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 118.45 0.568 . . . . 0.0 111.599 -179.122 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.0 t -71.56 151.98 43.36 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 179.085 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.732 -1.038 . . . . 0.0 110.96 -179.74 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.236 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m -135.66 104.17 5.69 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 104.214 -2.513 . . . . 0.0 104.214 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.0 t -137.48 45.79 2.17 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.361 0.664 . . . . 0.0 111.727 -177.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.82 65.97 3.64 Favored Glycine 0 CA--C 1.528 0.9 0 N-CA-C 108.014 -2.034 . . . . 0.0 108.014 178.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 13.3 m -130.07 -174.53 3.35 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 127.031 2.132 . . . . 0.0 109.598 -178.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 3.1 t -142.01 -176.4 4.78 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 121.451 -0.781 . . . . 0.0 110.511 178.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.59 -113.68 0.51 Allowed Glycine 0 CA--C 1.525 0.712 0 N-CA-C 108.506 -1.838 . . . . 0.0 108.506 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -45.8 139.46 4.13 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 127.24 2.216 . . . . 0.0 111.807 -179.62 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.9 t -105.08 -57.1 4.62 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 C-N-CA 125.087 1.355 . . . . 0.0 110.661 -179.159 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -55.71 -34.36 65.04 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 119.632 1.105 . . . . 0.0 113.484 -178.518 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.82 -39.63 81.77 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 35.5 mttp -68.16 -44.5 75.85 Favored 'General case' 0 CA--C 1.518 -0.283 0 C-N-CA 124.763 1.225 . . . . 0.0 109.866 179.409 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 66.7 mt -55.44 -59.04 2.87 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.39 -32.05 56.28 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.67 -0.644 . . . . 0.0 112.686 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -58.11 -58.83 6.72 Favored 'General case' 0 C--N 1.341 0.22 0 C-N-CA 123.924 0.89 . . . . 0.0 109.059 179.125 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.506 HD21 HG13 ' B' ' 37' ' ' VAL . 4.1 mm? -67.15 -36.36 81.68 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-O 118.371 -0.824 . . . . 0.0 111.763 -179.609 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 95.6 mtp -55.56 -38.24 69.07 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 119.5 1.045 . . . . 0.0 110.448 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.17 -20.86 65.5 Favored Glycine 0 CA--C 1.525 0.713 0 CA-C-O 119.643 -0.532 . . . . 0.0 112.659 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -76.82 -5.0 46.48 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.732 1.266 . . . . 0.0 112.215 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.88 -3.69 25.8 Favored Glycine 0 C--N 1.335 0.509 0 CA-C-O 117.975 -1.458 . . . . 0.0 115.91 178.019 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -82.53 156.05 24.21 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 119.364 1.582 . . . . 0.0 111.36 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.28 158.38 24.8 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.842 0.857 . . . . 0.0 108.833 179.366 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -52.08 -48.12 64.85 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 125.312 1.445 . . . . 0.0 112.818 -178.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -61.18 -44.57 97.08 Favored 'General case' 0 CA--C 1.521 -0.144 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -178.524 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -59.52 -47.55 85.08 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 124.717 1.207 . . . . 0.0 109.496 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 97.4 t -64.37 -50.5 76.08 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.757 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 10.0 mtpt -58.14 -35.34 71.37 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 118.208 0.458 . . . . 0.0 111.415 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 24.3 tpt180 -65.67 -59.63 3.73 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.21 -42.1 76.68 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 124.414 1.086 . . . . 0.0 113.199 -178.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -63.21 -42.26 99.25 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 117.435 -1.269 . . . . 0.0 111.269 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -62.96 -49.52 74.39 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 120.407 1.458 . . . . 0.0 110.097 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 70.3 mt -55.82 -48.91 77.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.9 10.22 0.3 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.969 1.708 . . . . 0.0 114.907 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 55.57 38.4 30.15 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 120.982 1.719 . . . . 0.0 109.597 -178.279 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 54.28 49.39 18.66 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 128.574 2.749 . . . . 0.0 110.3 -178.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -116.75 118.21 31.91 Favored 'General case' 0 C--N 1.333 -0.131 0 C-N-CA 124.878 1.271 . . . . 0.0 107.722 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.506 HG13 HD21 ' B' ' 16' ' ' LEU . 65.5 t -65.25 -44.55 95.03 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-N 118.656 0.662 . . . . 0.0 112.477 -179.316 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -55.44 -42.86 74.81 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.238 0.615 . . . . 0.0 110.455 -178.124 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.775 HG11 HG11 ' A' ' 39' ' ' VAL . 88.7 t -76.41 -47.29 30.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 C-N-CA 123.48 0.712 . . . . 0.0 109.627 179.462 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.38 -32.15 64.5 Favored 'General case' 0 C--N 1.341 0.197 0 CA-C-N 118.793 0.724 . . . . 0.0 111.624 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -59.76 -50.41 73.92 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 178.559 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 69.5 m -63.05 -36.15 82.63 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.84 0.856 . . . . 0.0 110.739 179.012 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 58.3 mt -60.64 -54.91 28.68 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 N-CA-C 107.113 -1.44 . . . . 0.0 107.113 178.445 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 28.1 mt -60.99 -30.34 70.23 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 124.118 0.967 . . . . 0.0 111.507 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 53.2 mtp180 -68.15 -37.42 81.01 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 118.329 0.513 . . . . 0.0 110.021 179.375 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.96 -39.36 23.79 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 123.651 0.78 . . . . 0.0 110.476 178.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -69.36 -37.05 77.43 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.979 1.312 . . . . 0.0 113.456 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 22.7 t -108.3 -71.5 0.76 Allowed 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 123.347 0.659 . . . . 0.0 109.394 -179.164 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 111.18 178.6 20.35 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 107.919 -2.072 . . . . 0.0 107.919 -177.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -73.35 145.8 39.0 Favored 'Trans proline' 0 N--CA 1.448 -1.147 0 C-N-CA 122.061 1.84 . . . . 0.0 109.211 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 58.1 m -137.96 142.35 40.52 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 124.503 1.121 . . . . 0.0 108.431 -179.555 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 47.6 t -156.64 157.1 34.63 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 125.221 1.408 . . . . 0.0 108.411 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.289 0 C-N-CA 124.981 1.277 . . . . 0.0 110.159 179.906 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.754 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.8 p -168.3 87.62 0.22 Allowed 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 103.27 -2.863 . . . . 0.0 103.27 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.0 m -68.83 167.0 16.47 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.02 0.438 . . . . 0.0 110.906 -178.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.27 169.69 49.93 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 121.823 -0.548 . . . . 0.0 112.405 -179.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 53.65 40.08 30.99 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.862 2.065 . . . . 0.0 113.598 179.116 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.1 t -57.0 -54.76 43.04 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.189 -0.944 . . . . 0.0 111.92 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.48 -25.63 0.59 Allowed Glycine 0 CA--C 1.527 0.801 0 CA-C-N 119.918 1.235 . . . . 0.0 115.75 179.32 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -95.28 148.67 22.18 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 119.199 1.499 . . . . 0.0 111.105 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.0 p -122.76 -47.6 2.29 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 C-N-CA 124.454 1.102 . . . . 0.0 109.236 179.09 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -58.04 -35.92 71.99 Favored 'General case' 0 N--CA 1.466 0.364 0 O-C-N 121.727 -0.608 . . . . 0.0 111.27 -179.607 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.85 -40.62 95.44 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 121.369 0.604 . . . . 0.0 109.818 178.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.433 ' HB3' HD11 ' A' ' 30' ' ' LEU . 48.4 mttp -66.58 -42.54 86.85 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.485 0.714 . . . . 0.0 109.434 179.532 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 85.9 mt -59.05 -52.75 56.96 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.137 0 N-CA-C 107.133 -1.432 . . . . 0.0 107.133 179.181 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.8 -44.56 77.93 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 117.787 0.267 . . . . 0.0 110.571 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.7 tttp -56.46 -56.24 23.71 Favored 'General case' 0 C--N 1.34 0.165 0 C-N-CA 123.399 0.68 . . . . 0.0 110.305 179.44 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.59 -35.04 78.26 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 118.904 0.774 . . . . 0.0 111.931 179.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 84.3 mtp -60.83 -26.18 67.15 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 119.708 1.14 . . . . 0.0 108.168 177.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.12 -2.03 65.15 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 125.918 1.723 . . . . 0.0 112.009 178.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -97.75 2.75 49.89 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.226 1.513 . . . . 0.0 109.322 178.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.94 50.08 4.27 Favored Glycine 0 C--N 1.341 0.807 0 C-N-CA 124.838 1.208 . . . . 0.0 113.286 178.345 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -133.92 150.06 51.31 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-N 118.142 0.971 . . . . 0.0 108.95 179.259 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.23 151.69 44.06 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-O 121.226 0.536 . . . . 0.0 109.575 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -53.64 -42.81 68.2 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 123.016 0.526 . . . . 0.0 112.255 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -65.09 -24.86 67.56 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -178.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -83.83 -43.38 15.43 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.4 t -63.33 -54.25 35.37 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 C-N-CA 124.756 1.222 . . . . 0.0 111.041 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt -57.12 -37.94 72.72 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -61.6 -52.97 62.2 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.68 -44.13 90.16 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 123.767 0.827 . . . . 0.0 112.309 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.433 HD11 ' HB3' ' A' ' 12' ' ' LYS . 3.1 mm? -60.26 -46.4 89.95 Favored 'General case' 0 C--N 1.34 0.176 0 CA-C-O 118.497 -0.763 . . . . 0.0 111.063 -179.698 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -56.76 -53.34 58.88 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 124.046 0.938 . . . . 0.0 110.29 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.9 mt -57.13 -45.22 84.32 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 C-N-CA 123.885 0.874 . . . . 0.0 108.976 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.33 4.57 2.19 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 127.117 2.167 . . . . 0.0 115.035 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 56.88 41.13 28.35 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 120.371 1.441 . . . . 0.0 108.082 -177.188 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 54.01 58.8 4.71 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 128.953 2.901 . . . . 0.0 111.1 -178.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 36.2 t-20 -122.81 121.94 37.48 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 124.804 1.242 . . . . 0.0 108.533 179.148 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.7 t -62.86 -46.65 95.81 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.191 0 C-N-CA 123.617 0.767 . . . . 0.0 112.243 -179.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -60.86 -46.48 90.43 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 118.733 0.697 . . . . 0.0 111.042 -178.303 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.726 HG11 HG11 ' B' ' 39' ' ' VAL . 47.4 t -69.11 -41.66 81.55 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 179.479 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.32 -40.24 89.88 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-N 119.606 1.093 . . . . 0.0 110.577 179.175 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -59.22 -48.73 80.54 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 178.371 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.0 m -59.56 -39.6 84.59 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.259 1.024 . . . . 0.0 110.938 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 74.2 mt -64.6 -48.94 82.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-N 119.562 1.074 . . . . 0.0 108.42 178.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.9 mt -63.67 -28.08 69.66 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 121.811 -0.556 . . . . 0.0 110.059 179.383 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.2 mmt180 -70.42 -14.41 62.54 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 123.949 0.9 . . . . 0.0 110.722 178.427 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -100.15 -53.79 3.05 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 125.056 1.342 . . . . 0.0 108.073 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -64.64 -52.88 55.06 Favored 'General case' 0 C--N 1.344 0.336 0 CA-C-N 118.224 0.465 . . . . 0.0 112.227 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.1 t -83.94 -61.26 1.87 Allowed 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 -179.199 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.61 -178.0 16.06 Favored Glycine 0 CA--C 1.538 1.513 0 N-CA-C 110.345 -1.102 . . . . 0.0 110.345 -178.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -73.89 155.29 48.43 Favored 'Trans proline' 0 N--CA 1.455 -0.737 0 C-N-CA 122.246 1.964 . . . . 0.0 108.959 178.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.2 t -128.42 -40.74 1.59 Allowed 'General case' 0 C--O 1.235 0.301 0 C-N-CA 124.177 0.991 . . . . 0.0 109.497 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.9 m -148.58 32.03 0.8 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 127.699 2.4 . . . . 0.0 108.133 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.76 0 C-N-CA 124.668 1.128 . . . . 0.0 112.024 -177.953 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.671 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.59 169.26 19.34 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 125.502 1.521 . . . . 0.0 107.605 178.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 43.6 m -125.48 174.58 8.11 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 124.367 1.067 . . . . 0.0 110.975 -178.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.13 -164.15 36.9 Favored Glycine 0 CA--C 1.531 1.058 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 179.46 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 43.1 32.03 0.4 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 127.728 2.411 . . . . 0.0 115.192 178.502 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 14.1 t -58.1 -64.57 0.86 Allowed 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.261 -0.899 . . . . 0.0 111.039 -179.397 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.97 -77.1 0.11 Allowed Glycine 0 C--N 1.333 0.411 0 N-CA-C 109.006 -1.637 . . . . 0.0 109.006 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -52.45 134.1 34.92 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 126.79 2.036 . . . . 0.0 110.908 -179.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 6.4 p -115.83 -28.28 2.34 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 C-N-CA 125.323 1.449 . . . . 0.0 110.692 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -58.26 -52.47 65.43 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 126.056 1.742 . . . . 0.0 110.174 -178.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.21 -17.77 64.76 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 122.443 0.297 . . . . 0.0 111.382 178.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -81.74 -43.25 18.67 Favored 'General case' 0 CA--C 1.517 -0.303 0 O-C-N 120.778 -1.201 . . . . 0.0 108.123 178.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 75.7 mt -61.38 -50.32 80.9 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 N-CA-C 104.988 -2.226 . . . . 0.0 104.988 178.143 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.83 -34.96 65.86 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.355 0.662 . . . . 0.0 112.218 179.372 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 36.9 tttp -65.8 -56.42 12.02 Favored 'General case' 0 CA--C 1.519 -0.223 0 C-N-CA 123.543 0.737 . . . . 0.0 110.757 179.665 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -62.95 -36.39 83.3 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 118.933 0.788 . . . . 0.0 110.393 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 89.6 mtp -62.66 -24.92 67.87 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.781 0.718 . . . . 0.0 109.512 177.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.42 -24.82 75.96 Favored Glycine 0 CA--C 1.525 0.668 0 C-N-CA 124.994 1.283 . . . . 0.0 111.195 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -68.81 -55.59 10.72 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 106.15 -1.796 . . . . 0.0 106.15 178.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 158.26 -5.82 0.15 Allowed Glycine 0 CA--C 1.524 0.624 0 C-N-CA 124.245 0.926 . . . . 0.0 114.301 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -71.53 156.13 39.78 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-N 118.663 1.232 . . . . 0.0 110.834 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.49 156.72 26.42 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 123.191 0.596 . . . . 0.0 110.694 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -55.6 -43.04 75.66 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 121.691 -0.631 . . . . 0.0 110.791 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -57.93 -31.94 67.31 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.507 1.123 . . . . 0.0 112.995 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -86.13 -47.93 9.06 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 125.149 1.38 . . . . 0.0 109.108 -179.14 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 72.2 t -59.1 -53.78 43.33 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 C-N-CA 124.246 1.018 . . . . 0.0 111.75 -178.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 21.6 ttpt -58.91 -36.94 75.54 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -63.18 -50.73 69.16 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 179.567 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.67 -43.54 97.54 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 124.099 0.96 . . . . 0.0 112.698 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.84 -41.68 99.44 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-N 119.443 1.019 . . . . 0.0 109.376 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.38 -51.21 70.34 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 118.809 0.732 . . . . 0.0 110.319 179.74 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 47.4 mt -58.88 -46.36 91.23 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.65 9.06 0.71 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 126.507 1.923 . . . . 0.0 114.501 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 54.71 32.49 17.48 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 120.432 1.469 . . . . 0.0 111.203 -178.172 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 68.12 49.53 0.85 Allowed 'General case' 0 C--O 1.237 0.406 0 C-N-CA 128.854 2.861 . . . . 0.0 111.218 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -121.05 116.19 24.56 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 123.999 0.92 . . . . 0.0 109.643 179.169 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 24.2 t -58.46 -45.78 89.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 C-N-CA 125.421 1.488 . . . . 0.0 111.421 179.566 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -57.84 -43.77 86.08 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 124.464 1.105 . . . . 0.0 110.803 -177.367 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.726 HG11 HG11 ' A' ' 39' ' ' VAL . 41.4 t -78.22 -40.6 25.79 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-O 119.48 -0.295 . . . . 0.0 110.28 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.4 -34.13 64.1 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 118.618 0.644 . . . . 0.0 111.879 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 43.1 mtt180 -56.45 -44.44 80.51 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 118.357 -0.83 . . . . 0.0 110.592 178.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 4.1 m -66.29 -39.32 89.29 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.666 0.786 . . . . 0.0 110.942 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 86.6 mt -62.11 -50.4 80.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.7 mt -63.68 -27.61 69.34 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.437 0.695 . . . . 0.0 109.888 179.342 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.32 -17.35 64.24 Favored 'General case' 0 C--N 1.341 0.201 0 O-C-N 121.177 -0.952 . . . . 0.0 110.761 178.217 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -101.55 -45.53 5.25 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 119.174 0.897 . . . . 0.0 110.773 177.442 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -65.02 -29.99 70.94 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 118.708 0.686 . . . . 0.0 112.443 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 46.4 t -123.96 -55.12 1.7 Allowed 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.696 1.198 . . . . 0.0 108.071 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 64.62 -152.92 49.9 Favored Glycine 0 CA--C 1.527 0.795 0 CA-C-O 118.698 -1.057 . . . . 0.0 113.326 179.131 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -72.2 -175.35 1.7 Allowed 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 123.968 3.112 . . . . 0.0 111.246 -179.513 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 24.9 t -161.59 -98.25 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 106.538 -1.653 . . . . 0.0 106.538 179.305 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 75.0 m -133.01 57.34 1.81 Allowed 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.54 1.136 . . . . 0.0 108.734 178.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 N-CA-C 105.156 -3.178 . . . . 0.0 105.156 179.09 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.998 0 CA-C-O 121.683 0.602 . . . . 0.0 112.034 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.9 p -60.33 -26.1 66.31 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 116.637 2.088 . . . . 0.0 116.637 -178.509 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.72 171.51 15.5 Favored 'General case' 0 C--O 1.235 0.308 0 O-C-N 120.715 -1.241 . . . . 0.0 110.281 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.58 -171.22 36.09 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 124.544 1.068 . . . . 0.0 111.27 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 t -73.3 144.04 46.75 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.3 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 p -166.75 -177.7 4.0 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 125.147 1.379 . . . . 0.0 110.082 -179.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.29 172.95 48.99 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 125.012 1.291 . . . . 0.0 109.96 -179.094 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -77.39 162.43 27.24 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 179.07 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 40.2 t -54.91 -44.65 73.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 C-N-CA 123.627 0.771 . . . . 0.0 109.538 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.3 -40.48 82.13 Favored 'General case' 0 N--CA 1.462 0.147 0 C-N-CA 124.26 1.024 . . . . 0.0 110.969 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.07 -39.48 94.84 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 122.935 0.494 . . . . 0.0 110.666 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.411 ' HB3' HD11 ' A' ' 30' ' ' LEU . 70.9 mttt -66.99 -47.45 71.49 Favored 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.262 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 56.8 mt -56.55 -56.81 11.87 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.153 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 178.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.98 -34.48 63.38 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.257 0.623 . . . . 0.0 111.601 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -64.32 -56.81 11.89 Favored 'General case' 0 C--N 1.341 0.239 0 CA-C-N 119.375 0.989 . . . . 0.0 108.647 178.437 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -58.96 -40.51 84.93 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 118.888 0.767 . . . . 0.0 110.137 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 90.9 mtp -61.05 -32.38 72.0 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 119.696 1.135 . . . . 0.0 109.523 178.495 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.04 -13.4 72.7 Favored Glycine 0 CA--C 1.531 1.045 0 C-N-CA 124.735 1.16 . . . . 0.0 111.475 178.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -79.42 -32.32 42.83 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 119.312 1.556 . . . . 0.0 107.14 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 123.67 67.92 0.21 Allowed Glycine 0 C--N 1.337 0.627 0 C-N-CA 125.597 1.57 . . . . 0.0 111.169 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -144.63 156.2 44.0 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.7 1.2 . . . . 0.0 110.631 178.251 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.56 158.85 30.84 Favored 'General case' 0 C--N 1.341 0.221 0 C-N-CA 124.87 1.268 . . . . 0.0 110.129 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -59.07 -43.23 91.73 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 -178.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -68.76 -41.35 78.99 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 119.697 1.135 . . . . 0.0 112.412 -178.154 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -57.84 -50.53 72.98 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 123.581 0.752 . . . . 0.0 109.197 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.3 t -64.04 -45.56 96.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 O-C-N 121.783 -0.573 . . . . 0.0 110.747 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.7 ttpt -59.37 -33.39 71.12 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 118.559 0.618 . . . . 0.0 111.512 -179.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -75.83 -52.3 10.68 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 178.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.24 -46.59 72.61 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.54 1.136 . . . . 0.0 112.062 -178.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.411 HD11 ' HB3' ' A' ' 12' ' ' LYS . 2.8 mm? -62.08 -44.48 96.58 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.846 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -61.87 -48.8 78.91 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 119.107 0.867 . . . . 0.0 110.386 -179.399 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 95.7 mt -56.76 -46.23 83.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 N-CA-C 107.402 -1.332 . . . . 0.0 107.402 179.311 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.74 5.73 1.03 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.76 1.624 . . . . 0.0 114.546 179.435 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 53.84 43.9 30.29 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 120.921 1.692 . . . . 0.0 107.549 -177.027 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 49.08 49.46 19.48 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 129.104 2.962 . . . . 0.0 110.493 -178.377 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -111.04 116.86 31.88 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 106.499 -1.667 . . . . 0.0 106.499 178.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.2 t -58.04 -49.45 81.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 C-N-CA 123.656 0.783 . . . . 0.0 111.851 -179.14 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -60.96 -40.56 93.83 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -178.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.839 HG11 HG11 ' B' ' 39' ' ' VAL . 35.0 t -74.29 -40.46 50.13 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 179.235 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.97 -35.36 73.05 Favored 'General case' 0 CA--C 1.531 0.22 0 O-C-N 121.371 -0.831 . . . . 0.0 109.959 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 35.2 ttt-85 -64.97 -20.03 66.28 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 122.81 0.444 . . . . 0.0 111.454 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.0 m -90.76 -38.47 12.99 Favored 'General case' 0 C--O 1.226 -0.156 0 C-N-CA 124.903 1.281 . . . . 0.0 108.518 178.011 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 66.5 mt -58.12 -46.17 88.37 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 179.181 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 55.4 mt -70.02 -9.95 57.01 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 118.261 -0.876 . . . . 0.0 112.765 179.473 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -68.57 -41.65 79.41 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 176.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -74.91 -51.33 14.07 Favored 'General case' 0 CA--C 1.523 -0.082 0 O-C-N 123.994 0.808 . . . . 0.0 110.274 179.274 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -63.56 -8.26 9.27 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 -178.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.0 t -136.36 21.35 3.18 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.414 1.006 . . . . 0.0 110.956 178.66 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -169.16 -177.26 39.76 Favored Glycine 0 CA--C 1.525 0.682 0 O-C-N 120.392 -1.442 . . . . 0.0 114.579 -178.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -70.17 158.99 54.69 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 123.382 2.721 . . . . 0.0 112.266 -179.479 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.1 m -94.25 -45.43 7.51 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 125.468 1.507 . . . . 0.0 111.158 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 52.0 p -148.91 -177.88 6.05 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 125.437 1.495 . . . . 0.0 109.323 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.948 0 N-CA-C 109.334 -1.507 . . . . 0.0 109.334 179.834 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.85 0 N-CA-C 109.138 -1.585 . . . . 0.0 109.138 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 3.9 p -54.6 -28.21 44.74 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 125.104 1.362 . . . . 0.0 113.367 -179.436 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -155.34 167.63 29.74 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 106.524 -1.658 . . . . 0.0 106.524 179.085 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.66 179.42 30.27 Favored Glycine 0 CA--C 1.528 0.87 0 CA-C-O 121.877 0.709 . . . . 0.0 112.584 179.534 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -87.91 98.46 11.5 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 107.077 -1.453 . . . . 0.0 107.077 179.691 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 60.0 p -123.09 -177.25 3.63 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.594 1.158 . . . . 0.0 110.406 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.02 -178.01 37.2 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 124.483 1.039 . . . . 0.0 111.898 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 -85.62 156.87 20.52 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.686 1.195 . . . . 0.0 110.886 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 53.6 t -52.15 -42.43 35.78 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 C-N-CA 126.305 1.842 . . . . 0.0 110.004 179.349 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.16 -51.69 61.2 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 125.514 1.526 . . . . 0.0 112.026 -179.705 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.53 -25.78 68.21 Favored 'General case' 0 C--O 1.23 0.078 0 CA-C-O 119.131 -0.462 . . . . 0.0 112.108 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' LYS . . . . . 0.424 ' HB3' HD11 ' B' ' 30' ' ' LEU . 45.2 mttp -72.45 -41.12 66.45 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 179.156 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 94.1 mt -61.08 -51.02 78.04 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 N-CA-C 105.635 -1.987 . . . . 0.0 105.635 178.533 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.4 -41.64 80.69 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 121.829 -0.545 . . . . 0.0 110.561 179.144 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 31.2 tttp -58.51 -53.34 59.44 Favored 'General case' 0 C--N 1.339 0.134 0 C-N-CA 123.68 0.792 . . . . 0.0 111.141 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -68.25 -40.5 81.95 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 117.392 -1.289 . . . . 0.0 110.723 179.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 93.2 mtp -55.41 -35.96 65.94 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 120.525 1.511 . . . . 0.0 109.201 178.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.2 -18.36 54.88 Favored Glycine 0 CA--C 1.531 1.043 0 C-N-CA 125.091 1.329 . . . . 0.0 113.561 179.21 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -86.08 -5.0 59.29 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.504 1.652 . . . . 0.0 109.721 178.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.37 66.05 0.98 Allowed Glycine 0 C--N 1.338 0.682 0 C-N-CA 126.004 1.764 . . . . 0.0 112.556 179.406 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -139.96 161.15 38.29 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 124.388 1.075 . . . . 0.0 109.964 178.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' ALA . . . . . 0.428 ' HB3' ' CG ' ' B' ' 25' ' ' GLU . . . -77.35 156.64 31.13 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 122.841 0.456 . . . . 0.0 110.68 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -62.59 -44.58 95.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.069 -0.395 . . . . 0.0 110.357 178.58 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -63.29 -40.72 98.16 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 117.798 0.272 . . . . 0.0 111.026 -178.358 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.428 ' CG ' ' HB3' ' B' ' 22' ' ' ALA . 5.6 mm-40 -63.24 -53.38 53.84 Favored 'General case' 0 N--CA 1.461 0.078 0 C-N-CA 125.444 1.497 . . . . 0.0 109.083 179.514 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 75.7 t -60.32 -52.66 58.79 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 C-N-CA 124.072 0.949 . . . . 0.0 111.696 -178.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 25.5 ttpt -55.24 -39.49 69.79 Favored 'General case' 0 CA--C 1.518 -0.258 0 O-C-N 123.961 0.788 . . . . 0.0 110.18 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -70.45 -51.59 28.2 Favored 'General case' 0 N--CA 1.453 -0.289 0 O-C-N 123.504 0.503 . . . . 0.0 110.298 -179.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.89 -39.12 77.12 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 118.382 -0.818 . . . . 0.0 111.515 -179.161 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' B' ' 35' ' ' ASN . 0.7 OUTLIER -63.18 -43.32 98.58 Favored 'General case' 0 C--N 1.343 0.304 0 CA-C-N 119.945 1.248 . . . . 0.0 108.451 178.572 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.09 -48.3 78.93 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 125.501 1.52 . . . . 0.0 109.707 -179.605 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 76.3 mt -64.13 -45.75 95.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.424 ' HB2' HD12 ' B' ' 43' ' ' ILE . . . -67.48 13.78 0.06 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.666 1.986 . . . . 0.0 115.228 -179.666 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 34' ' ' GLN . . . . . 0.598 ' HG3' HG22 ' A' ' 39' ' ' VAL . 6.3 mm100 54.18 42.6 31.46 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 120.955 1.707 . . . . 0.0 107.893 -178.027 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 35' ' ' ASN . . . . . 0.447 ' HA ' HD12 ' B' ' 30' ' ' LEU . 87.3 m-20 51.88 36.19 17.55 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 128.337 2.655 . . . . 0.0 111.258 -178.542 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 36.3 t-20 -109.82 119.42 39.29 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 120.122 1.328 . . . . 0.0 112.238 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 40.8 t -55.63 -44.88 78.36 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 C-N-CA 124.876 1.27 . . . . 0.0 112.007 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -58.13 -33.11 68.8 Favored 'General case' 0 C--O 1.231 0.08 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 -177.574 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.839 HG11 HG11 ' A' ' 39' ' ' VAL . 61.9 t -92.62 -41.06 12.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 C-N-CA 123.244 0.618 . . . . 0.0 110.694 -179.296 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.03 -35.69 64.71 Favored 'General case' 0 C--O 1.231 0.105 0 C-N-CA 123.876 0.87 . . . . 0.0 111.684 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 50.3 ttt-85 -62.53 -43.09 99.66 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 179.347 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 23.1 m -69.96 -34.65 73.68 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.165 0.586 . . . . 0.0 110.36 178.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.424 HD12 ' HB2' ' B' ' 33' ' ' ALA . 30.5 mt -60.71 -48.61 87.97 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 178.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 36.8 mt -62.5 -20.58 64.74 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.529 0.732 . . . . 0.0 112.414 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 -68.6 -38.71 80.84 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 120.078 1.308 . . . . 0.0 111.053 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -76.01 -43.43 44.28 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 123.704 0.627 . . . . 0.0 109.771 179.182 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -67.59 -37.35 82.46 Favored 'General case' 0 CA--C 1.529 0.17 0 O-C-N 121.632 -0.667 . . . . 0.0 111.418 179.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.97 60.1 0.78 Allowed 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 126.353 1.861 . . . . 0.0 110.662 -177.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 165.33 -179.76 39.61 Favored Glycine 0 CA--C 1.524 0.607 0 O-C-N 121.026 -1.046 . . . . 0.0 113.137 179.477 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -77.5 152.58 30.03 Favored 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 122.818 2.346 . . . . 0.0 110.282 179.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.2 m -90.15 -16.75 28.92 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 124.471 1.108 . . . . 0.0 112.75 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 1.6 p -151.66 168.86 23.67 Favored 'General case' 0 C--O 1.237 0.423 0 O-C-N 121.183 -0.948 . . . . 0.0 109.259 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.226 0 N-CA-C 108.224 -1.951 . . . . 0.0 108.224 -178.623 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.0 t . . . . . 0 N--CA 1.465 0.315 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -57.74 -38.07 74.71 Favored 'General case' 0 C--O 1.233 0.191 0 O-C-N 121.45 -0.781 . . . . 0.0 112.728 -178.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.4 -38.05 89.64 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -66.98 -40.45 87.43 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.46 0.704 . . . . 0.0 109.546 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 95.5 mt -61.6 -51.08 77.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 N-CA-C 106.36 -1.719 . . . . 0.0 106.36 178.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.4 -41.1 68.87 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 122.975 0.51 . . . . 0.0 110.279 179.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.5 tptt -54.65 -63.25 1.21 Allowed 'General case' 0 C--O 1.234 0.246 0 C-N-CA 125.102 1.361 . . . . 0.0 110.637 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.58 -36.22 82.0 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.382 1.073 . . . . 0.0 112.268 -179.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 87.5 mtp -58.96 -29.96 67.56 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 119.578 1.081 . . . . 0.0 108.937 178.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.67 -16.36 69.81 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 124.324 0.964 . . . . 0.0 112.382 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -78.78 -7.54 57.92 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 118.458 1.129 . . . . 0.0 108.975 178.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.08 44.92 3.19 Favored Glycine 0 C--N 1.343 0.944 0 C-N-CA 125.353 1.454 . . . . 0.0 113.057 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -126.77 152.83 46.37 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 118.58 1.19 . . . . 0.0 109.839 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.01 147.62 48.42 Favored 'General case' 0 C--N 1.339 0.131 0 C-N-CA 123.143 0.577 . . . . 0.0 109.964 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -50.37 -44.05 54.6 Favored 'General case' 0 C--O 1.224 -0.257 0 C-N-CA 124.811 1.245 . . . . 0.0 111.999 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -57.21 -49.15 76.91 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.669 1.188 . . . . 0.0 112.408 -178.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -65.17 -40.14 93.88 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 125.467 1.507 . . . . 0.0 109.212 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 88.4 t -66.41 -45.63 88.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 O-C-N 121.406 -0.809 . . . . 0.0 109.587 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.8 -38.8 76.16 Favored 'General case' 0 CA--C 1.528 0.126 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 179.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.07 -50.98 68.44 Favored 'General case' 0 C--N 1.339 0.148 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 179.358 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.44 -45.83 84.26 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 122.991 0.516 . . . . 0.0 112.359 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -69.12 -28.44 66.47 Favored 'General case' 0 C--N 1.34 0.169 0 CA-C-O 117.512 -1.232 . . . . 0.0 111.715 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -64.99 -58.68 5.48 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 61.2 mt -55.98 -51.33 62.41 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 C-N-CA 126.297 1.839 . . . . 0.0 110.264 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.75 12.76 0.07 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.297 1.839 . . . . 0.0 115.813 -178.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 51.74 41.55 29.18 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 120.975 1.716 . . . . 0.0 109.026 -177.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.0 m120 55.37 54.95 7.94 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 127.615 2.366 . . . . 0.0 111.517 -179.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -126.48 118.96 26.01 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 121.041 -1.037 . . . . 0.0 109.769 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 30.9 t -61.06 -46.74 96.07 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 C-N-CA 125.367 1.467 . . . . 0.0 112.729 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -59.12 -31.71 69.18 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 125.207 1.403 . . . . 0.0 111.861 -177.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 98.2 t -90.88 -40.29 12.52 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 127.792 2.437 . . . . 0.0 111.121 -179.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.94 -32.18 72.57 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 124.345 1.058 . . . . 0.0 111.47 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 20.1 ttm180 -58.72 -36.87 74.99 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 118.978 -0.534 . . . . 0.0 109.75 179.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.9 m -68.29 -34.76 76.75 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.926 0.89 . . . . 0.0 111.319 179.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 82.1 mt -67.66 -50.76 57.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 C-N-CA 123.831 0.853 . . . . 0.0 108.705 -179.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.9 mt -62.54 -34.29 76.62 Favored 'General case' 0 N--CA 1.461 0.088 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -59.36 -44.72 92.67 Favored 'General case' 0 C--O 1.224 -0.254 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 178.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -69.16 -52.99 22.48 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.318 1.047 . . . . 0.0 111.432 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 . . . . . 0 CA--C 1.532 0.258 0 N-CA-C 116.11 1.893 . . . . 0.0 116.11 -178.366 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.414 HG22 HD22 ' B' ' 35' ' ' ASN . 20.3 t . . . . . 0 N--CA 1.464 0.267 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.55 -44.37 85.15 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 123.943 0.897 . . . . 0.0 109.777 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.5 -20.09 59.02 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.957 0.903 . . . . 0.0 112.955 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 41.0 mttp -89.87 -45.01 9.54 Favored 'General case' 0 CA--C 1.519 -0.213 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 79.4 mt -59.55 -55.89 20.8 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.14 -21.55 33.42 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.545 0.738 . . . . 0.0 112.529 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 58.2 tttt -78.82 -58.42 3.25 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 119.38 0.991 . . . . 0.0 109.659 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.04 -33.3 71.84 Favored 'General case' 0 C--N 1.339 0.15 0 CA-C-N 119.015 0.825 . . . . 0.0 111.743 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 90.9 mtp -60.29 -30.54 69.54 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 118.75 0.704 . . . . 0.0 110.335 178.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.03 -21.15 76.82 Favored Glycine 0 CA--C 1.528 0.847 0 CA-C-O 118.878 -0.957 . . . . 0.0 111.849 179.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -64.9 -53.65 43.22 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 105.874 -1.898 . . . . 0.0 105.874 178.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 151.16 16.12 0.07 OUTLIER Glycine 0 CA--C 1.532 1.12 0 CA-C-O 118.28 -1.289 . . . . 0.0 114.231 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -100.81 152.33 20.64 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 119.565 1.683 . . . . 0.0 111.011 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.18 160.66 32.06 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.676 0.791 . . . . 0.0 111.808 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -56.73 -45.07 82.14 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.602 0.761 . . . . 0.0 110.724 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -51.53 -53.95 32.42 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 125.622 1.569 . . . . 0.0 110.252 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -62.07 -46.98 86.72 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 126.591 1.956 . . . . 0.0 112.13 -178.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 84.2 t -64.64 -53.37 43.18 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 C-N-CA 123.249 0.619 . . . . 0.0 111.451 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 mtpt -54.89 -39.65 68.95 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 118.022 0.374 . . . . 0.0 110.309 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -64.95 -53.98 37.76 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.45 -43.55 71.73 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 122.714 0.405 . . . . 0.0 111.916 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.84 -43.12 97.12 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-O 118.183 -0.913 . . . . 0.0 111.061 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -59.45 -38.73 81.47 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 119.159 0.89 . . . . 0.0 111.585 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 81.7 mt -72.05 -42.21 67.84 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 C-N-CA 124.329 1.052 . . . . 0.0 109.019 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.17 6.85 2.49 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 128.689 2.796 . . . . 0.0 114.362 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 57.51 45.77 19.01 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 119.58 1.082 . . . . 0.0 108.256 -176.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . 0.414 HD22 HG22 ' B' ' 9' ' ' VAL . 4.2 m-20 48.33 62.1 2.69 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 128.872 2.869 . . . . 0.0 110.557 179.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 64.4 t-20 -135.06 120.26 18.89 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.167 1.387 . . . . 0.0 110.45 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 29.1 t -58.63 -44.94 90.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 C-N-CA 124.164 0.985 . . . . 0.0 111.64 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -55.2 -39.3 69.47 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.064 0.946 . . . . 0.0 112.687 -177.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 61.3 t -86.56 -38.55 12.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-O 118.861 -0.59 . . . . 0.0 109.798 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.64 -33.33 46.35 Favored 'General case' 0 C--N 1.342 0.263 0 CA-C-N 119.184 0.902 . . . . 0.0 111.707 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -58.43 -51.15 71.06 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 178.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 6.3 m -59.76 -30.33 68.78 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.487 1.115 . . . . 0.0 112.264 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 99.6 mt -75.54 -46.01 38.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 21.7 mt -63.34 -30.92 71.97 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 178.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -67.17 -23.07 65.73 Favored 'General case' 0 CA--C 1.529 0.137 0 O-C-N 121.111 -0.993 . . . . 0.0 109.953 177.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -91.67 -43.33 9.66 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 119.136 0.88 . . . . 0.0 110.748 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -76.61 -22.7 53.81 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 119.068 0.849 . . . . 0.0 112.637 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 7.7 t . . . . . 0 N--CA 1.45 -0.455 0 C-N-CA 125.154 1.381 . . . . 0.0 111.521 -179.593 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 38.3 t . . . . . 0 N--CA 1.465 0.324 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -52.87 -46.79 68.06 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 125.007 1.323 . . . . 0.0 110.806 -179.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.81 -33.1 75.19 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.021 0.928 . . . . 0.0 110.889 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 46.7 mttp -64.66 -44.69 89.58 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 119.475 1.034 . . . . 0.0 108.361 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 92.8 mt -63.06 -49.35 83.79 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.62 -34.89 67.69 Favored 'General case' 0 CA--C 1.536 0.426 0 O-C-N 121.604 -0.685 . . . . 0.0 112.251 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.6 tptm -61.35 -63.52 1.25 Allowed 'General case' 0 C--N 1.339 0.121 0 C-N-CA 124.899 1.28 . . . . 0.0 108.47 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.16 -35.75 77.96 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 118.39 -0.814 . . . . 0.0 112.358 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 84.3 mtp -58.56 -34.63 71.26 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 119.789 1.177 . . . . 0.0 110.064 178.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -66.97 -18.2 68.51 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 123.867 0.746 . . . . 0.0 112.484 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -72.1 -14.61 61.89 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.741 1.27 . . . . 0.0 109.485 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.66 39.82 1.83 Allowed Glycine 0 CA--C 1.526 0.769 0 C-N-CA 125.364 1.459 . . . . 0.0 111.47 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -128.89 149.11 50.91 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 119.027 1.413 . . . . 0.0 109.911 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.17 154.29 33.29 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 121.702 0.763 . . . . 0.0 110.409 -179.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -52.3 -39.02 59.97 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 126.624 1.97 . . . . 0.0 111.434 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -62.5 -46.51 88.1 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 119.201 0.909 . . . . 0.0 110.628 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -62.3 -50.59 71.06 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 124.366 1.066 . . . . 0.0 109.21 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 65.9 t -62.86 -48.33 88.56 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 C-N-CA 124.3 1.04 . . . . 0.0 111.937 -178.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -62.43 -38.08 88.34 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 118.047 -0.978 . . . . 0.0 109.187 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.6 tpt180 -64.71 -48.74 73.54 Favored 'General case' 0 C--N 1.341 0.196 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.18 -60.17 3.69 Favored 'General case' 0 N--CA 1.434 -1.244 0 C-N-CA 125.929 1.692 . . . . 0.0 108.873 179.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -56.35 -25.66 50.06 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 119.473 1.033 . . . . 0.0 112.941 -178.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -69.13 -46.98 66.3 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 81.8 mt -66.01 -48.15 82.68 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 C-N-CA 125.454 1.501 . . . . 0.0 110.061 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.69 12.47 0.07 Allowed 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 116.537 2.051 . . . . 0.0 116.537 -178.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 55.8 37.2 28.57 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 120.311 1.414 . . . . 0.0 108.735 -177.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 51.98 57.76 6.16 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 128.089 2.556 . . . . 0.0 113.089 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 64.1 t-20 -131.86 123.94 28.53 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 126.518 1.927 . . . . 0.0 110.767 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 33.5 t -65.44 -40.69 89.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 C-N-CA 126.231 1.812 . . . . 0.0 112.67 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -59.81 -41.65 91.72 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.328 1.051 . . . . 0.0 110.939 -178.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.72 HG11 HG11 ' B' ' 39' ' ' VAL . 59.8 t -78.62 -44.29 25.84 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 178.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.15 -29.11 29.56 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 -178.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -54.63 -49.49 70.39 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 119.32 0.963 . . . . 0.0 110.795 178.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.5 m -65.28 -23.82 67.14 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.997 1.319 . . . . 0.0 113.753 -179.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 71.7 mt -80.59 -48.33 19.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 N-CA-C 106.487 -1.672 . . . . 0.0 106.487 179.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.5 mt -62.76 -26.38 68.68 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 120.405 -1.435 . . . . 0.0 110.676 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 -60.87 -53.45 57.11 Favored 'General case' 0 C--O 1.226 -0.172 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 177.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -69.55 -39.54 77.35 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 118.432 0.56 . . . . 0.0 112.096 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 . . . . . 0 C--O 1.234 0.276 0 N-CA-C 115.216 1.562 . . . . 0.0 115.216 -178.895 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 71.3 t . . . . . 0 CA--C 1.529 0.149 0 CA-C-O 119.333 -0.365 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -55.36 -41.28 72.34 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 123.926 0.89 . . . . 0.0 110.261 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.04 -38.24 85.46 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 126.092 1.757 . . . . 0.0 110.772 178.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 42.3 mttp -71.48 -42.48 68.02 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 118.191 -0.909 . . . . 0.0 109.116 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 94.1 mt -57.66 -51.86 64.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 N-CA-C 106.908 -1.516 . . . . 0.0 106.908 178.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.95 -36.43 67.79 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 122.147 0.179 . . . . 0.0 110.955 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 38.5 tttt -56.17 -45.04 79.85 Favored 'General case' 0 CA--C 1.528 0.1 0 O-C-N 121.106 -0.996 . . . . 0.0 111.836 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -69.23 -31.97 70.9 Favored 'General case' 0 CA--C 1.527 0.088 0 CA-C-N 119.275 0.943 . . . . 0.0 109.832 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 94.7 mtp -63.9 -21.93 66.69 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 177.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.41 -23.48 73.48 Favored Glycine 0 CA--C 1.536 1.351 0 N-CA-C 108.815 -1.714 . . . . 0.0 108.815 176.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -88.94 -49.43 6.79 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 177.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 134.51 8.37 1.99 Allowed Glycine 0 C--N 1.344 0.985 0 N-CA-C 117.359 1.704 . . . . 0.0 117.359 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -72.03 170.32 14.11 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 120.602 2.201 . . . . 0.0 109.837 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.52 151.39 25.43 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 177.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -52.75 -43.8 66.02 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 124.47 1.108 . . . . 0.0 113.552 -178.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -63.29 -42.36 99.08 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 122.815 0.446 . . . . 0.0 111.353 -178.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -61.87 -43.5 98.71 Favored 'General case' 0 CA--C 1.529 0.138 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 88.2 t -63.26 -53.17 49.33 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 C-N-CA 123.554 0.742 . . . . 0.0 110.508 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 19.2 ttpt -54.87 -36.68 65.37 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 18.8 tpt180 -68.65 -55.24 12.14 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.87 -40.87 76.96 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 125.982 1.713 . . . . 0.0 113.804 -178.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -60.57 -39.46 88.08 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 119.674 1.125 . . . . 0.0 110.762 -179.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -62.96 -46.12 89.21 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 119.248 0.931 . . . . 0.0 110.483 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 59.8 mt -59.35 -48.6 86.5 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.58 12.56 0.34 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 127.533 2.333 . . . . 0.0 115.445 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 51.79 43.88 29.71 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 120.942 1.701 . . . . 0.0 110.08 -178.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 50.71 41.2 25.8 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 128.106 2.562 . . . . 0.0 112.034 -179.252 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -114.52 115.71 27.66 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.9 t -56.77 -41.5 75.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 C-N-CA 123.834 0.853 . . . . 0.0 110.431 179.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -52.9 -34.18 53.79 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 125.328 1.451 . . . . 0.0 111.348 -178.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.72 HG11 HG11 ' A' ' 39' ' ' VAL . 38.8 t -97.42 -34.8 4.98 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-N 118.244 0.475 . . . . 0.0 109.795 179.326 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.88 -37.49 71.44 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 119.228 0.922 . . . . 0.0 109.908 179.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -56.95 -49.95 74.12 Favored 'General case' 0 C--O 1.222 -0.36 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 178.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 17.6 m -60.73 -30.1 69.78 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 125.183 1.393 . . . . 0.0 113.725 -179.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 86.3 mt -74.48 -56.89 7.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 178.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 42.3 mt -56.36 -32.61 64.9 Favored 'General case' 0 CA--C 1.519 -0.225 0 C-N-CA 125.603 1.561 . . . . 0.0 111.992 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -48.94 -52.81 22.61 Favored 'General case' 0 CA--C 1.512 -0.49 0 C-N-CA 125.305 1.442 . . . . 0.0 111.167 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -90.63 -28.03 18.68 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 118.579 -0.724 . . . . 0.0 112.879 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -63.06 -31.55 72.72 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 119.129 0.877 . . . . 0.0 108.768 179.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 N--CA 1.446 -0.648 0 C-N-CA 126.451 1.9 . . . . 0.0 110.454 179.963 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.6 p . . . . . 0 CA--C 1.536 0.427 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -55.88 -51.05 68.94 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 120.394 1.452 . . . . 0.0 110.491 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.51 -31.94 69.83 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.458 0.703 . . . . 0.0 111.558 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.0 mttt -71.27 -39.39 71.58 Favored 'General case' 0 CA--C 1.519 -0.215 0 C-N-CA 123.665 0.786 . . . . 0.0 109.416 179.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 78.9 mt -62.04 -49.05 85.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 N-CA-C 105.624 -1.991 . . . . 0.0 105.624 178.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.28 -25.58 67.19 Favored 'General case' 0 CA--C 1.536 0.417 0 O-C-N 121.856 -0.528 . . . . 0.0 111.868 179.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.8 tttt -69.56 -63.79 1.0 Allowed 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -59.57 -34.99 73.4 Favored 'General case' 0 C--O 1.225 -0.186 0 C-N-CA 123.672 0.789 . . . . 0.0 111.562 -179.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 49.2 mmm -57.06 -26.48 60.44 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 119.15 0.886 . . . . 0.0 111.085 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.2 -18.21 74.7 Favored Glycine 0 CA--C 1.527 0.843 0 O-C-N 121.017 -1.052 . . . . 0.0 112.771 178.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -80.22 -6.38 57.74 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.194 1.398 . . . . 0.0 111.378 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.94 -0.51 55.08 Favored Glycine 0 C--N 1.34 0.77 0 C-N-CA 124.49 1.043 . . . . 0.0 114.404 179.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -74.8 161.99 29.08 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 118.627 1.213 . . . . 0.0 110.89 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.21 152.37 26.45 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 124.001 0.92 . . . . 0.0 110.274 179.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -55.04 -42.53 72.79 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 123.518 0.727 . . . . 0.0 110.456 179.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -57.93 -53.56 56.81 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 124.346 1.058 . . . . 0.0 110.585 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -59.68 -47.08 87.05 Favored 'General case' 0 CA--C 1.516 -0.342 0 C-N-CA 125.318 1.447 . . . . 0.0 110.822 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 64.3 t -58.87 -56.61 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 C-N-CA 124.751 1.22 . . . . 0.0 109.18 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.8 mtpt -56.62 -40.66 75.73 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-O 119.111 -0.471 . . . . 0.0 110.579 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.2 tpt180 -64.08 -46.26 85.08 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 -178.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.14 -43.92 97.78 Favored 'General case' 0 N--CA 1.445 -0.675 0 C-N-CA 123.081 0.552 . . . . 0.0 110.76 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.3 -43.49 98.79 Favored 'General case' 0 C--N 1.342 0.246 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 179.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -57.82 -45.34 86.29 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.283 1.433 . . . . 0.0 110.903 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.2 mt -68.69 -44.47 82.38 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.414 ' HA ' HG13 ' B' ' 39' ' ' VAL . . . -71.62 0.7 8.03 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 128.807 2.843 . . . . 0.0 115.375 -179.544 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 59.96 53.85 4.49 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.666 1.186 . . . . 0.0 108.685 -176.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 49.57 50.51 18.1 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 128.079 2.552 . . . . 0.0 110.778 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -124.17 120.98 33.87 Favored 'General case' 0 C--N 1.333 -0.14 0 O-C-N 121.475 -0.766 . . . . 0.0 111.368 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 38.6 t -63.36 -53.18 48.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 C-N-CA 125.941 1.696 . . . . 0.0 110.834 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -49.8 -48.2 50.83 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.701 1.2 . . . . 0.0 110.595 -178.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 69.1 t -73.92 -43.6 52.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 123.05 0.54 . . . . 0.0 110.543 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.22 -34.63 66.5 Favored 'General case' 0 C--N 1.341 0.214 0 CA-C-N 119.332 0.969 . . . . 0.0 110.995 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 35.0 mtp180 -60.89 -25.46 66.73 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 117.468 -1.254 . . . . 0.0 110.296 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.3 m -79.02 -55.43 5.13 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-N 120.038 1.29 . . . . 0.0 108.037 178.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 78.9 mt -49.84 -46.36 22.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 C-N-CA 125.534 1.534 . . . . 0.0 111.518 -178.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.2 mt -62.87 -22.58 66.8 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 118.265 -0.874 . . . . 0.0 112.142 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.8 mmt85 -70.56 -44.35 67.59 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 120.31 1.414 . . . . 0.0 107.381 178.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -57.84 -57.57 12.17 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 . . . . . 0 N--CA 1.466 0.365 0 CA-C-N 118.813 0.733 . . . . 0.0 112.652 -179.391 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 6.9 p . . . . . 0 CA--C 1.537 0.471 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -48.05 -57.19 6.13 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 126.861 2.064 . . . . 0.0 112.106 -179.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.42 -24.88 67.65 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 21.9 mttp -72.09 -41.45 67.3 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 97.1 mt -61.34 -50.92 78.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.29 -36.89 66.65 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 118.014 0.37 . . . . 0.0 111.873 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 72.2 tttt -63.95 -62.46 1.62 Allowed 'General case' 0 C--N 1.34 0.167 0 C-N-CA 124.377 1.071 . . . . 0.0 109.846 179.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -59.2 -35.95 74.5 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-O 118.996 -0.526 . . . . 0.0 111.951 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 41.6 mmm -55.89 -36.04 67.2 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 119.355 0.98 . . . . 0.0 109.345 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.87 -8.91 55.05 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 124.929 1.252 . . . . 0.0 113.496 179.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -91.29 1.8 56.84 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.606 1.203 . . . . 0.0 110.7 178.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.06 48.48 3.09 Favored Glycine 0 C--N 1.338 0.659 0 C-N-CA 124.097 0.856 . . . . 0.0 114.382 178.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -132.55 159.0 40.71 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 123.314 0.645 . . . . 0.0 109.781 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.26 155.35 20.11 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 123.923 0.889 . . . . 0.0 110.877 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -55.75 -42.23 75.1 Favored 'General case' 0 N--CA 1.465 0.295 0 O-C-N 121.699 -0.626 . . . . 0.0 111.622 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -65.45 -27.7 68.7 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -82.61 -46.3 13.47 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 91.7 t -60.63 -55.6 23.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 125.009 1.324 . . . . 0.0 110.751 -179.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -58.86 -35.09 72.38 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-O 118.889 -0.577 . . . . 0.0 110.804 -179.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -65.68 -51.83 56.29 Favored 'General case' 0 N--CA 1.457 -0.117 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.31 -44.17 95.68 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.399 0.68 . . . . 0.0 111.601 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -58.87 -47.96 83.05 Favored 'General case' 0 C--N 1.34 0.156 0 CA-C-O 118.342 -0.837 . . . . 0.0 109.631 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -53.91 -50.32 66.66 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.415 1.086 . . . . 0.0 110.544 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 74.9 mt -59.07 -48.33 87.09 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 C-N-CA 124.194 0.997 . . . . 0.0 108.974 -179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.83 12.93 0.32 Allowed 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.157 1.783 . . . . 0.0 114.274 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 53.4 43.67 31.04 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 121.037 1.744 . . . . 0.0 109.172 -178.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 53.26 39.64 30.05 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 128.164 2.585 . . . . 0.0 112.235 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -104.53 122.86 46.45 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 178.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 29.6 t -59.2 -58.92 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.146 0 C-N-CA 124.71 1.204 . . . . 0.0 112.277 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -52.95 -42.9 65.91 Favored 'General case' 0 CA--C 1.522 -0.11 0 C-N-CA 124.272 1.029 . . . . 0.0 111.961 -176.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.414 HG13 ' HA ' ' A' ' 33' ' ' ALA . 62.9 t -72.84 -41.02 61.19 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 C-N-CA 125.281 1.433 . . . . 0.0 109.528 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.37 -30.6 71.31 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 119.172 0.896 . . . . 0.0 111.432 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 10.2 mtp180 -55.14 -48.66 73.37 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 118.591 0.632 . . . . 0.0 109.699 178.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 6.8 m -56.97 -42.47 80.24 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.043 1.337 . . . . 0.0 112.085 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 98.1 mt -60.89 -52.68 58.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 13.5 mt -61.78 -33.43 74.08 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-O 118.439 -0.791 . . . . 0.0 110.153 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.0 -47.78 83.27 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 119.557 1.072 . . . . 0.0 109.773 179.059 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.98 -47.07 69.57 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.006 0.922 . . . . 0.0 111.173 -179.376 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -69.29 -53.06 21.68 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 119.082 0.856 . . . . 0.0 110.995 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 CA--C 1.533 0.327 0 C-N-CA 126.049 1.74 . . . . 0.0 108.47 179.879 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.0 t . . . . . 0 CA--C 1.53 0.194 0 CA-C-O 118.968 -0.539 . . . . 0.0 110.814 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -57.14 -41.11 78.51 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 119.613 1.097 . . . . 0.0 112.131 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.3 -34.76 77.21 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 122.895 0.478 . . . . 0.0 110.46 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -72.42 -40.1 67.37 Favored 'General case' 0 CA--C 1.516 -0.337 0 O-C-N 121.615 -0.678 . . . . 0.0 109.479 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 79.1 mt -60.48 -50.02 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 106.53 -1.655 . . . . 0.0 106.53 178.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.97 -40.27 69.84 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 122.691 0.396 . . . . 0.0 109.979 179.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.8 tptt -57.79 -60.98 2.87 Favored 'General case' 0 C--N 1.341 0.219 0 C-N-CA 124.57 1.148 . . . . 0.0 110.951 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.459 HD12 HD12 ' A' ' 44' ' ' LEU . 4.4 mm? -63.28 -34.46 77.72 Favored 'General case' 0 C--O 1.226 -0.141 0 CA-C-N 118.377 0.535 . . . . 0.0 111.249 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 91.0 mtp -61.02 -32.58 72.18 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 107.629 -1.248 . . . . 0.0 107.629 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.08 -10.26 64.97 Favored Glycine 0 CA--C 1.532 1.098 0 C-N-CA 125.607 1.575 . . . . 0.0 112.405 178.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -86.61 -11.43 51.45 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 118.796 1.298 . . . . 0.0 109.231 178.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.3 23.15 8.63 Favored Glycine 0 C--N 1.34 0.763 0 CA-C-O 118.274 -1.292 . . . . 0.0 113.763 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -106.23 154.36 20.83 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 119.363 1.582 . . . . 0.0 111.77 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.07 145.08 38.11 Favored 'General case' 0 C--N 1.343 0.301 0 C-N-CA 123.623 0.769 . . . . 0.0 111.431 -178.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -53.17 -40.02 64.02 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -178.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -64.99 -17.08 64.12 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -97.05 -34.4 11.18 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 124.744 1.218 . . . . 0.0 108.24 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 68.0 t -67.54 -56.58 12.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 C-N-CA 124.285 1.034 . . . . 0.0 112.336 -178.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.1 ttpt -56.1 -34.46 66.05 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 118.531 0.605 . . . . 0.0 109.684 -179.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -67.23 -47.95 69.26 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 124.859 1.264 . . . . 0.0 109.1 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.17 -44.72 94.8 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 118.307 0.503 . . . . 0.0 110.517 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.47 -22.61 64.56 Favored 'General case' 0 C--N 1.341 0.2 0 CA-C-O 118.169 -0.919 . . . . 0.0 111.51 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -71.75 -55.88 6.81 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 107.035 -1.469 . . . . 0.0 107.035 177.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.5 mt -58.18 -51.01 76.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 C-N-CA 124.784 1.233 . . . . 0.0 109.613 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.54 7.67 0.44 Allowed 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 126.433 1.893 . . . . 0.0 114.531 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 50.24 49.79 19.88 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 122.603 1.192 . . . . 0.0 110.352 -179.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.3 m120 56.81 31.84 20.25 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 128.732 2.813 . . . . 0.0 113.782 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -109.25 118.75 37.53 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 120.669 1.577 . . . . 0.0 110.515 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.4 t -62.76 -41.73 93.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 123.903 0.881 . . . . 0.0 112.126 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -62.17 -30.26 70.93 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -177.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.68 HG11 HG11 ' B' ' 39' ' ' VAL . 60.8 t -86.78 -47.7 15.97 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 C-N-CA 124.448 1.099 . . . . 0.0 109.1 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.61 -32.41 58.78 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.61 1.164 . . . . 0.0 111.479 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 31.9 mtt-85 -54.94 -43.98 73.89 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.186 0.994 . . . . 0.0 110.51 178.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.8 m -71.19 -37.96 72.12 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 118.075 -0.964 . . . . 0.0 111.758 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.7 mt -56.96 -44.31 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-O 122.371 1.081 . . . . 0.0 109.137 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.459 HD12 HD12 ' A' ' 16' ' ' LEU . 79.4 mt -69.97 -22.67 63.13 Favored 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 120.998 -1.064 . . . . 0.0 112.903 -178.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 35.9 mtp-105 -72.25 -35.81 68.9 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 119.57 1.077 . . . . 0.0 108.729 178.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -77.89 -33.48 51.97 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-O 118.956 -0.545 . . . . 0.0 111.426 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 . . . . . 0 N--CA 1.464 0.264 0 CA-C-N 119.383 0.992 . . . . 0.0 113.1 179.579 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 17.9 t . . . . . 0 N--CA 1.471 0.605 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -59.58 -44.83 93.2 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 121.105 -0.997 . . . . 0.0 110.776 -179.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.62 -19.81 58.96 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.369 0.667 . . . . 0.0 111.921 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -91.13 -39.96 11.86 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.391 1.077 . . . . 0.0 109.128 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 73.6 mt -59.81 -52.13 64.73 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 N-CA-C 105.192 -2.151 . . . . 0.0 105.192 178.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.41 -15.27 57.1 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.627 0.771 . . . . 0.0 112.868 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 34.3 tptt -78.96 -62.03 1.83 Allowed 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 178.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.412 HD12 HD12 ' B' ' 44' ' ' LEU . 4.1 mm? -60.22 -36.71 78.31 Favored 'General case' 0 C--O 1.226 -0.135 0 C-N-CA 124.698 1.199 . . . . 0.0 111.831 -178.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 89.4 mtp -59.89 -23.52 63.53 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 119.421 1.01 . . . . 0.0 112.771 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -77.5 -19.54 76.09 Favored Glycine 0 CA--C 1.526 0.773 0 CA-C-O 119.236 -0.758 . . . . 0.0 111.464 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -73.66 -4.43 34.24 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 118.592 1.196 . . . . 0.0 111.526 179.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.49 -17.14 21.36 Favored Glycine 0 CA--C 1.523 0.564 0 C-N-CA 127.309 2.385 . . . . 0.0 115.824 177.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -68.06 146.89 53.07 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 -177.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.65 155.92 37.26 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 125.733 1.613 . . . . 0.0 111.88 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -57.0 -41.88 79.28 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 123.843 0.857 . . . . 0.0 111.329 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -63.76 -23.72 67.48 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.275 0.63 . . . . 0.0 111.781 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -91.85 -41.79 10.43 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 85.7 t -64.99 -54.94 23.57 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.23 0 O-C-N 120.986 -1.071 . . . . 0.0 113.287 -178.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt -56.13 -34.2 65.89 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 119.98 -0.688 . . . . 0.0 110.275 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -64.9 -55.39 19.6 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 107.278 -1.378 . . . . 0.0 107.278 178.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.12 -47.93 68.25 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.355 1.062 . . . . 0.0 111.446 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.47 -36.61 84.33 Favored 'General case' 0 C--O 1.225 -0.229 0 CA-C-O 117.994 -1.003 . . . . 0.0 111.312 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -62.7 -47.95 81.4 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 120.031 1.287 . . . . 0.0 110.094 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 18.7 mt -63.86 -44.19 98.03 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 124.592 1.157 . . . . 0.0 109.907 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.408 ' HA ' HG13 ' A' ' 39' ' ' VAL . . . -72.62 10.26 0.89 Allowed 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.22 1.808 . . . . 0.0 114.285 -179.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 52.77 42.5 31.82 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 120.923 1.692 . . . . 0.0 108.888 -177.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 28.1 m120 59.95 17.83 6.98 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 129.377 3.071 . . . . 0.0 112.066 -178.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 42.7 t-20 -89.46 118.76 29.34 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 121.915 2.143 . . . . 0.0 112.133 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 25.4 t -58.77 -44.02 89.27 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 C-N-CA 125.185 1.394 . . . . 0.0 110.632 179.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -53.28 -43.4 67.45 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 124.479 1.112 . . . . 0.0 110.797 -178.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.68 HG11 HG11 ' A' ' 39' ' ' VAL . 39.2 t -83.37 -38.52 14.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-O 118.843 -0.599 . . . . 0.0 110.835 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.4 ' HA ' HD12 ' B' ' 43' ' ' ILE . . . -54.2 -29.23 45.29 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 119.316 0.962 . . . . 0.0 111.483 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 32.7 mtt180 -60.13 -47.29 86.53 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-O 118.788 -0.625 . . . . 0.0 109.665 178.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 4.9 m -59.45 -32.85 70.6 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.648 1.179 . . . . 0.0 112.286 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.4 HD12 ' HA ' ' B' ' 40' ' ' ALA . 60.7 mt -73.36 -51.44 25.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 125.72 1.608 . . . . 0.0 109.23 -179.127 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.412 HD12 HD12 ' B' ' 16' ' ' LEU . 20.1 mt -63.83 -29.0 70.24 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 120.705 -1.247 . . . . 0.0 109.941 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.68 -23.92 67.41 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 117.557 -1.211 . . . . 0.0 110.224 177.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -94.96 -47.93 6.21 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 119.981 1.264 . . . . 0.0 110.829 178.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -63.09 -50.61 69.89 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 -178.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 C--O 1.233 0.219 0 C-N-CA 123.315 0.646 . . . . 0.0 111.889 -178.471 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.7 p . . . . . 0 N--CA 1.467 0.397 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -56.03 -37.77 69.66 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 121.381 -0.824 . . . . 0.0 111.9 -178.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.22 -45.82 89.89 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.3 mttp -62.06 -40.87 97.25 Favored 'General case' 0 C--O 1.225 -0.205 0 C-N-CA 124.231 1.012 . . . . 0.0 110.457 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 89.0 mt -59.33 -55.77 21.52 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.26 -38.62 66.01 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 122.343 -0.223 . . . . 0.0 111.581 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.5 tttm -55.38 -63.35 1.19 Allowed 'General case' 0 C--N 1.343 0.321 0 C-N-CA 124.656 1.183 . . . . 0.0 110.579 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.39 -34.28 76.41 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 118.024 -0.989 . . . . 0.0 112.887 -179.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 98.2 mtp -57.63 -25.66 60.44 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 119.66 1.118 . . . . 0.0 110.052 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.07 -15.66 72.18 Favored Glycine 0 CA--C 1.53 1.029 0 C-N-CA 125.099 1.333 . . . . 0.0 113.139 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -85.45 -10.03 56.7 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.359 1.579 . . . . 0.0 111.624 178.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.69 55.26 0.79 Allowed Glycine 0 C--N 1.337 0.587 0 C-N-CA 123.711 0.672 . . . . 0.0 111.796 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -139.97 147.03 39.89 Favored 'General case' 0 C--O 1.242 0.682 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 178.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.15 161.1 27.61 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 124.035 0.934 . . . . 0.0 111.365 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -52.03 -47.94 64.77 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 125.111 1.365 . . . . 0.0 112.872 -179.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -61.13 -47.1 87.8 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -178.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -57.59 -49.38 76.61 Favored 'General case' 0 CA--C 1.52 -0.201 0 C-N-CA 125.376 1.47 . . . . 0.0 110.059 -178.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.1 t -63.48 -46.92 93.87 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 C-N-CA 123.642 0.777 . . . . 0.0 110.105 -179.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.6 mtpt -56.9 -41.52 78.23 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 178.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -64.16 -47.89 78.09 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.08 -46.64 88.89 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 118.588 -0.72 . . . . 0.0 111.261 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -63.02 -33.0 74.49 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 120.418 1.463 . . . . 0.0 110.319 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -64.92 -49.09 71.78 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 119.814 1.188 . . . . 0.0 108.823 178.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.4 mt -69.86 -32.89 53.48 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 C-N-CA 125.105 1.362 . . . . 0.0 111.545 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.25 13.75 4.03 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 127.592 2.357 . . . . 0.0 114.844 -178.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.461 ' HG3' HG22 ' B' ' 39' ' ' VAL . 6.5 mm100 54.69 38.74 30.57 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 120.75 1.614 . . . . 0.0 110.118 -178.178 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.2 t30 56.35 39.42 30.11 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.39 1.876 . . . . 0.0 111.783 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -117.64 120.66 38.7 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 125.04 1.336 . . . . 0.0 111.938 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.5 t -61.42 -43.81 97.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 C-N-CA 124.259 1.024 . . . . 0.0 111.204 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -56.71 -28.39 60.87 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 124.57 1.148 . . . . 0.0 112.547 -177.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.754 HG11 HG11 ' B' ' 39' ' ' VAL . 45.8 t -98.63 -42.75 11.34 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.402 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.409 ' HA ' HD12 ' A' ' 43' ' ' ILE . . . -52.8 -34.88 55.65 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 118.978 0.808 . . . . 0.0 110.749 179.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -55.17 -53.2 58.93 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 125.706 1.602 . . . . 0.0 109.221 178.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.4 m -68.48 -25.88 65.2 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.126 0.97 . . . . 0.0 113.159 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.409 HD12 ' HA ' ' A' ' 40' ' ' ALA . 91.0 mt -67.4 -58.5 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 N-CA-C 106.589 -1.634 . . . . 0.0 106.589 178.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.3 mt -55.58 -36.03 66.43 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 125.31 1.444 . . . . 0.0 110.167 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.43 -38.58 74.61 Favored 'General case' 0 CA--C 1.527 0.095 0 CA-C-O 119.127 -0.463 . . . . 0.0 111.334 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -100.23 -21.79 15.37 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 118.405 -0.807 . . . . 0.0 112.787 -179.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.469 0.475 0 CA-C-N 120.093 1.315 . . . . 0.0 107.642 178.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 7.7 p . . . . . 0 CA--C 1.535 0.396 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -54.12 -37.43 64.33 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 120.779 -1.201 . . . . 0.0 113.713 -178.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.0 -25.58 66.99 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.483 0.713 . . . . 0.0 112.198 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 20.0 mttp -83.59 -39.71 19.99 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 178.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 91.3 mt -58.31 -53.69 42.84 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 N-CA-C 106.917 -1.512 . . . . 0.0 106.917 178.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.58 -33.12 63.63 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 123.147 0.579 . . . . 0.0 112.32 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -64.55 -64.62 0.83 Allowed 'General case' 0 C--N 1.341 0.211 0 C-N-CA 124.537 1.135 . . . . 0.0 108.834 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.37 -37.39 75.14 Favored 'General case' 0 C--N 1.341 0.228 0 CA-C-N 118.634 0.652 . . . . 0.0 111.296 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 80.4 mtp -59.91 -25.74 65.37 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 119.197 0.908 . . . . 0.0 110.004 178.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -82.05 -7.68 87.53 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 124.606 1.098 . . . . 0.0 112.542 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -92.25 -3.53 55.37 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.416 -1.049 . . . . 0.0 110.965 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.78 62.53 1.07 Allowed Glycine 0 C--N 1.341 0.844 0 C-N-CA 124.652 1.12 . . . . 0.0 113.747 178.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -146.76 148.06 31.56 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 125.334 1.454 . . . . 0.0 108.307 178.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.5 156.08 39.4 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-O 120.976 0.417 . . . . 0.0 111.432 -178.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -55.77 -42.04 74.92 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -178.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -68.83 -34.34 75.33 Favored 'General case' 0 CA--C 1.528 0.121 0 CA-C-N 118.808 0.731 . . . . 0.0 111.251 -178.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -67.11 -44.6 79.52 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 123.809 0.844 . . . . 0.0 109.037 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 84.3 t -62.24 -53.85 42.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 124.157 0.983 . . . . 0.0 111.141 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -56.15 -38.42 70.83 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 118.136 0.425 . . . . 0.0 110.655 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -64.18 -53.61 46.66 Favored 'General case' 0 CA--C 1.52 -0.179 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.3 -45.58 84.03 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 123.711 0.804 . . . . 0.0 112.129 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.15 -39.34 89.75 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-O 117.213 -1.375 . . . . 0.0 110.4 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -57.65 -51.58 68.92 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 119.78 1.173 . . . . 0.0 109.333 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 66.5 mt -61.8 -47.46 93.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 C-N-CA 125.117 1.367 . . . . 0.0 109.467 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.79 9.76 0.25 Allowed 'General case' 0 C--O 1.234 0.285 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 -179.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . 0.447 ' HG3' HG22 ' A' ' 39' ' ' VAL . 3.6 mm100 55.65 42.44 29.44 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 120.297 1.408 . . . . 0.0 108.215 -178.273 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 58.6 t30 44.71 55.03 6.21 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 128.76 2.824 . . . . 0.0 111.87 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 -128.15 117.73 22.11 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.872 1.669 . . . . 0.0 108.518 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 84.0 t -63.58 -36.04 74.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 O-C-N 121.189 -0.945 . . . . 0.0 110.578 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -56.27 -31.18 63.37 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 124.574 1.15 . . . . 0.0 111.629 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.754 HG11 HG11 ' A' ' 39' ' ' VAL . 49.2 t -99.11 -41.62 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.692 0 C-N-CA 124.018 0.927 . . . . 0.0 110.559 -178.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.65 -33.25 68.11 Favored 'General case' 0 N--CA 1.463 0.214 0 O-C-N 121.247 -0.908 . . . . 0.0 111.7 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 15.5 ttm180 -58.77 -42.16 88.28 Favored 'General case' 0 C--N 1.341 0.231 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 46.9 m -71.22 -33.31 69.76 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.639 -0.663 . . . . 0.0 111.091 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 55.9 mt -63.81 -57.84 9.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 29.5 mt -57.82 -34.48 69.71 Favored 'General case' 0 C--O 1.231 0.1 0 C-N-CA 123.301 0.641 . . . . 0.0 111.203 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -58.45 -48.17 81.59 Favored 'General case' 0 C--O 1.226 -0.169 0 C-N-CA 122.957 0.503 . . . . 0.0 109.875 179.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -80.24 -30.59 38.53 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -179.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -69.57 -53.03 20.88 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-N 119.064 0.847 . . . . 0.0 111.407 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 N--CA 1.455 -0.188 0 CA-C-O 118.378 -0.82 . . . . 0.0 112.742 -178.381 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.7 t . . . . . 0 CA--C 1.532 0.258 0 N-CA-C 111.34 0.126 . . . . 0.0 111.34 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -56.46 -35.32 67.79 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 124.42 1.088 . . . . 0.0 113.928 -177.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.15 -25.34 67.7 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 122.343 0.257 . . . . 0.0 110.464 178.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 42.1 mttp -77.64 -44.84 26.87 Favored 'General case' 0 CA--C 1.518 -0.261 0 C-N-CA 124.094 0.957 . . . . 0.0 108.631 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 94.7 mt -54.45 -59.07 2.44 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.33 -38.88 66.51 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 112.4 0.518 . . . . 0.0 112.4 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.6 tttt -57.14 -53.75 54.56 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 121.51 -0.744 . . . . 0.0 110.725 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -71.07 -34.67 71.41 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 118.463 -0.779 . . . . 0.0 111.028 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 92.2 mtp -59.9 -33.92 72.49 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 120.017 1.281 . . . . 0.0 109.404 178.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.07 -25.93 60.41 Favored Glycine 0 CA--C 1.53 1.009 0 CA-C-O 119.395 -0.669 . . . . 0.0 111.72 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -63.79 -25.41 68.17 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 119.243 1.521 . . . . 0.0 110.955 178.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 122.69 -5.29 9.89 Favored Glycine 0 CA--C 1.529 0.963 0 C-N-CA 125.654 1.597 . . . . 0.0 111.434 -178.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -73.36 155.8 39.01 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 118.914 1.357 . . . . 0.0 110.789 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.91 162.82 16.69 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.974 0.909 . . . . 0.0 111.775 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -57.95 -41.97 83.93 Favored 'General case' 0 C--O 1.238 0.461 0 O-C-N 121.217 -0.927 . . . . 0.0 112.307 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -60.87 -21.49 63.34 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.692 0.797 . . . . 0.0 112.26 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -91.41 -50.84 5.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 122.422 1.106 . . . . 0.0 110.077 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 94.3 t -62.43 -56.63 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 C-N-CA 125.175 1.39 . . . . 0.0 114.119 -177.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -56.5 -32.62 65.2 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 118.531 0.605 . . . . 0.0 111.264 -178.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 27.8 tpt180 -72.28 -54.72 8.71 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.86 -41.54 70.92 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.394 0.678 . . . . 0.0 111.611 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -63.06 -37.98 89.37 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-O 116.859 -1.543 . . . . 0.0 109.636 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -66.05 -49.38 67.86 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 120.791 1.632 . . . . 0.0 110.48 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 68.0 mt -56.63 -40.15 67.44 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.77 7.46 4.68 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.932 1.693 . . . . 0.0 113.344 179.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 54.4 46.44 25.04 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 120.847 1.658 . . . . 0.0 108.774 -177.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 31.4 m120 53.91 35.38 21.67 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 128.738 2.815 . . . . 0.0 111.366 -178.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -102.38 117.01 33.81 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 178.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.2 t -60.46 -48.23 89.28 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-O 118.876 -0.583 . . . . 0.0 112.461 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -55.54 -52.6 63.18 Favored 'General case' 0 C--N 1.332 -0.162 0 O-C-N 123.557 0.536 . . . . 0.0 110.073 -177.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.716 HG11 HG11 ' B' ' 39' ' ' VAL . 59.7 t -64.63 -39.62 86.25 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 CA-C-O 119.048 -0.501 . . . . 0.0 110.222 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.86 -31.82 65.19 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 119.001 0.819 . . . . 0.0 110.617 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -56.97 -51.86 67.52 Favored 'General case' 0 C--N 1.345 0.376 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 178.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.6 m -60.84 -33.65 73.37 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.942 1.297 . . . . 0.0 112.597 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 60.1 mt -70.87 -49.35 50.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 C-N-CA 125.01 1.324 . . . . 0.0 109.112 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 18.0 mt -63.12 -31.98 73.26 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.481 0.712 . . . . 0.0 109.109 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 -65.98 -19.1 65.75 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-O 117.957 -1.021 . . . . 0.0 111.078 178.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -98.04 -41.89 7.75 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 119.802 1.183 . . . . 0.0 110.21 178.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 . . . . . 0 C--N 1.34 0.167 0 O-C-N 123.7 0.625 . . . . 0.0 110.835 179.672 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 81.8 t . . . . . 0 N--CA 1.467 0.403 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -50.2 -46.33 54.39 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 126.205 1.802 . . . . 0.0 112.012 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.1 -19.96 55.92 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.108 0.963 . . . . 0.0 112.181 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 45.3 mttp -90.35 -41.67 11.37 Favored 'General case' 0 CA--C 1.52 -0.191 0 C-N-CA 125.108 1.363 . . . . 0.0 108.609 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 14.0 mt -54.66 -59.02 2.57 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 178.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.0 -38.81 76.82 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 122.13 -0.356 . . . . 0.0 111.475 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -59.25 -55.13 38.79 Favored 'General case' 0 C--N 1.339 0.129 0 O-C-N 121.409 -0.807 . . . . 0.0 110.022 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -65.03 -38.13 89.88 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 117.955 -1.022 . . . . 0.0 111.5 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 84.0 mtp -56.07 -40.66 73.93 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 119.668 1.122 . . . . 0.0 108.708 178.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.22 -16.01 59.55 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 124.571 1.081 . . . . 0.0 113.742 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -77.59 -15.23 59.36 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.474 1.637 . . . . 0.0 108.543 178.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.55 54.05 0.7 Allowed Glycine 0 C--N 1.34 0.76 0 C-N-CA 125.523 1.535 . . . . 0.0 112.713 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -136.87 160.52 38.63 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 125.383 1.473 . . . . 0.0 109.344 178.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.04 149.66 23.86 Favored 'General case' 0 C--N 1.343 0.32 0 CA-C-N 119.105 0.866 . . . . 0.0 109.625 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -52.85 -44.13 66.54 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 125.127 1.371 . . . . 0.0 114.434 -178.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -64.15 -26.27 68.45 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -177.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -84.36 -45.8 12.4 Favored 'General case' 0 C--O 1.226 -0.16 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 53.1 t -58.77 -47.71 88.32 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 C-N-CA 124.51 1.124 . . . . 0.0 110.308 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 8.5 ttpt -56.88 -39.14 73.81 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 119.212 -0.423 . . . . 0.0 109.882 179.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 -67.77 -49.7 61.03 Favored 'General case' 0 C--N 1.341 0.197 0 C-N-CA 123.844 0.857 . . . . 0.0 108.81 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.35 -44.4 72.14 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.594 1.157 . . . . 0.0 112.396 -178.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -70.66 -26.64 63.54 Favored 'General case' 0 N--CA 1.456 -0.128 0 CA-C-O 117.995 -1.002 . . . . 0.0 112.586 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -68.7 -51.35 42.56 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 106.143 -1.799 . . . . 0.0 106.143 178.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 68.5 mt -58.54 -49.32 82.77 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 C-N-CA 125.015 1.326 . . . . 0.0 108.768 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.2 3.59 1.16 Allowed 'General case' 0 C--O 1.235 0.298 0 C-N-CA 125.438 1.495 . . . . 0.0 114.233 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 51.89 44.99 28.98 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 122.93 1.347 . . . . 0.0 108.56 -178.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 8.8 m120 59.2 21.29 9.39 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 130.584 3.554 . . . . 0.0 113.436 -179.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -91.73 111.43 22.95 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 121.521 1.964 . . . . 0.0 110.431 179.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 22.0 t -53.85 -46.27 63.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 C-N-CA 124.372 1.069 . . . . 0.0 111.332 179.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -54.83 -36.29 64.85 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.878 0.871 . . . . 0.0 112.401 -177.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.716 HG11 HG11 ' A' ' 39' ' ' VAL . 41.5 t -84.37 -41.27 16.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 C-N-CA 123.406 0.682 . . . . 0.0 109.946 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.3 -33.32 63.17 Favored 'General case' 0 CA--C 1.531 0.233 0 O-C-N 121.734 -0.603 . . . . 0.0 112.41 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 35.9 mtp-105 -60.3 -44.99 94.91 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 118.654 -0.689 . . . . 0.0 109.624 179.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 51.3 m -70.5 -31.68 68.88 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 118.546 0.612 . . . . 0.0 110.539 179.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 62.1 mt -62.88 -54.93 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-N 119.571 1.078 . . . . 0.0 108.622 178.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 18.6 mt -60.77 -28.33 68.65 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 124.297 1.039 . . . . 0.0 110.767 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -67.5 -18.19 64.96 Favored 'General case' 0 N--CA 1.464 0.25 0 O-C-N 121.67 -0.644 . . . . 0.0 112.105 179.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -97.98 -37.67 9.69 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 178.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -67.39 -52.21 42.71 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.591 0.632 . . . . 0.0 109.742 178.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 41.9 t . . . . . 0 N--CA 1.452 -0.333 0 C-N-CA 124.842 1.257 . . . . 0.0 110.009 -179.388 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.6 p . . . . . 0 N--CA 1.47 0.564 0 N-CA-C 110.134 -0.321 . . . . 0.0 110.134 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -62.86 -34.7 77.9 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 120.157 -1.59 . . . . 0.0 111.188 -179.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.6 -15.21 62.73 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.537 1.135 . . . . 0.0 111.543 178.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 41.9 mttp -94.56 -43.06 8.5 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 125.455 1.502 . . . . 0.0 109.183 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.0 mt -57.16 -58.18 6.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.2 -27.31 63.77 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.7 tttp -70.06 -57.29 5.14 Favored 'General case' 0 C--O 1.225 -0.22 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 179.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.07 -36.96 78.5 Favored 'General case' 0 C--O 1.224 -0.284 0 CA-C-O 118.179 -0.915 . . . . 0.0 111.483 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 83.3 mtp -56.59 -39.54 73.71 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 119.963 1.256 . . . . 0.0 108.394 178.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.25 -9.71 55.16 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 125.609 1.576 . . . . 0.0 113.948 179.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -89.6 0.33 57.01 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 118.913 1.356 . . . . 0.0 108.482 177.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.61 53.2 1.86 Allowed Glycine 0 C--N 1.34 0.79 0 C-N-CA 126.75 2.119 . . . . 0.0 112.935 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -137.11 158.46 44.39 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 118.126 0.963 . . . . 0.0 110.099 179.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.65 149.02 23.74 Favored 'General case' 0 C--N 1.338 0.096 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -50.06 -39.19 41.35 Favored 'General case' 0 C--O 1.224 -0.274 0 C-N-CA 124.516 1.127 . . . . 0.0 112.358 -179.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -59.93 -48.43 81.72 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 124.227 1.011 . . . . 0.0 112.205 -178.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -71.02 -38.54 72.62 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 125.362 1.465 . . . . 0.0 109.277 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 67.5 t -65.68 -46.02 90.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 124.57 1.148 . . . . 0.0 110.423 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -58.99 -40.62 85.4 Favored 'General case' 0 CA--C 1.515 -0.379 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.421 ' HD2' ' HA ' ' A' ' 28' ' ' ARG . 27.3 tpt180 -66.85 -43.42 83.69 Favored 'General case' 0 N--CA 1.449 -0.493 0 O-C-N 124.195 0.934 . . . . 0.0 109.528 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.05 -49.87 75.97 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 123.298 0.639 . . . . 0.0 109.588 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -66.27 -26.75 67.49 Favored 'General case' 0 C--N 1.34 0.178 0 CA-C-O 117.838 -1.077 . . . . 0.0 111.161 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -69.13 -58.44 4.07 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 120.163 1.347 . . . . 0.0 107.611 178.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 65.4 mt -56.41 -44.89 81.3 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 124.67 1.188 . . . . 0.0 109.234 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.47 7.94 1.24 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.622 1.569 . . . . 0.0 114.553 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 51.43 44.37 29.01 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 120.827 1.649 . . . . 0.0 109.895 -178.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.3 m120 59.74 32.14 21.23 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 127.852 2.461 . . . . 0.0 112.709 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -102.94 115.56 30.84 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 120.209 1.368 . . . . 0.0 109.931 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.4 t -57.13 -45.2 84.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 C-N-CA 125.298 1.439 . . . . 0.0 111.877 179.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -56.34 -45.06 80.58 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 125.11 1.364 . . . . 0.0 111.757 -178.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.664 HG11 HG11 ' B' ' 39' ' ' VAL . 47.2 t -77.1 -42.17 31.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 C-N-CA 123.584 0.754 . . . . 0.0 110.263 -179.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.57 -38.01 52.36 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.784 0.834 . . . . 0.0 112.033 -179.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -56.08 -51.0 69.44 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 118.311 0.505 . . . . 0.0 110.773 178.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.5 m -62.92 -29.24 70.63 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.198 0.999 . . . . 0.0 112.305 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 44.5 mt -68.78 -52.02 39.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 N-CA-C 107.826 -1.175 . . . . 0.0 107.826 179.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.9 mt -62.29 -34.71 77.11 Favored 'General case' 0 CA--C 1.521 -0.155 0 C-N-CA 123.904 0.882 . . . . 0.0 109.735 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 -65.61 -30.01 70.67 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 118.164 0.438 . . . . 0.0 110.119 178.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -77.47 -46.3 22.94 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 118.923 0.783 . . . . 0.0 108.947 178.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 . . . . . 0 CA--C 1.534 0.34 0 CA-C-O 118.877 -0.583 . . . . 0.0 112.361 -179.586 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 8.9 p . . . . . 0 N--CA 1.465 0.299 0 CA-C-O 118.692 -0.671 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.26 -43.02 96.52 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 120.046 1.294 . . . . 0.0 108.648 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.79 -18.39 65.04 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.663 0.785 . . . . 0.0 112.747 178.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -88.44 -44.63 10.59 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 107.089 -1.449 . . . . 0.0 107.089 178.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 60.3 mt -56.57 -51.99 58.89 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 N-CA-C 106.576 -1.639 . . . . 0.0 106.576 178.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.31 -17.08 40.34 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 179.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 42.7 tttp -82.03 -58.79 2.81 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 178.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.13 -36.02 76.56 Favored 'General case' 0 C--N 1.342 0.282 0 CA-C-N 119.448 1.022 . . . . 0.0 111.813 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 95.5 mtp -61.88 -26.05 67.92 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.075 0.852 . . . . 0.0 109.563 178.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.31 -20.92 79.52 Favored Glycine 0 C--N 1.336 0.531 0 C-N-CA 125.583 1.563 . . . . 0.0 111.403 178.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -72.27 -26.78 62.12 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.476 1.138 . . . . 0.0 108.598 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.21 -7.38 6.74 Favored Glycine 0 CA--C 1.53 0.993 0 CA-C-O 118.254 -1.304 . . . . 0.0 115.548 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -76.15 163.76 26.77 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 119.6 1.7 . . . . 0.0 112.872 -178.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.65 158.92 25.49 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.509 1.523 . . . . 0.0 110.388 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -56.87 -46.16 82.0 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.537 1.135 . . . . 0.0 113.458 -178.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -61.99 -46.74 87.92 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 118.827 0.74 . . . . 0.0 111.782 -178.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -56.91 -46.62 81.84 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 125.933 1.693 . . . . 0.0 110.511 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 75.8 t -64.88 -52.26 56.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 C-N-CA 123.859 0.863 . . . . 0.0 110.7 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 4.3 mtpt -56.87 -36.78 70.46 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.35 -179.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -65.19 -49.4 69.9 Favored 'General case' 0 C--N 1.338 0.086 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.2 -43.83 83.11 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.229 0.612 . . . . 0.0 111.606 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.74 -37.78 87.32 Favored 'General case' 0 C--N 1.342 0.244 0 CA-C-O 117.673 -1.156 . . . . 0.0 111.301 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -61.12 -52.19 65.93 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 119.666 1.121 . . . . 0.0 109.016 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 70.0 mt -60.34 -50.35 80.63 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.99 4.37 0.67 Allowed 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 116.043 1.868 . . . . 0.0 116.043 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 55.6 46.42 22.86 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 120.317 1.417 . . . . 0.0 108.935 -177.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 49.88 62.4 2.67 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 128.018 2.527 . . . . 0.0 110.96 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -132.03 123.84 28.08 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 124.892 1.277 . . . . 0.0 109.23 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 52.9 t -67.4 -44.06 87.24 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.067 0 CA-C-N 118.274 0.488 . . . . 0.0 111.811 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -53.21 -56.3 17.51 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.351 1.061 . . . . 0.0 109.083 -178.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.664 HG11 HG11 ' A' ' 39' ' ' VAL . 43.8 t -68.43 -42.24 83.85 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 CA-C-O 118.941 -0.552 . . . . 0.0 111.066 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.91 -32.05 65.54 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 119.579 1.081 . . . . 0.0 111.411 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 48.8 ttm-85 -60.73 -50.78 72.11 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 178.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 3.5 m -61.1 -34.94 75.75 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 118.459 -0.782 . . . . 0.0 111.404 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 63.0 mt -66.18 -51.9 54.1 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 26.6 mt -60.02 -31.28 69.8 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 121.861 -0.525 . . . . 0.0 109.893 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -71.98 -12.53 61.28 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 117.987 -1.006 . . . . 0.0 112.28 179.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -93.24 -56.32 2.99 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 178.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -63.08 -53.0 60.48 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 122.963 0.505 . . . . 0.0 110.881 -178.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 9.5 t . . . . . 0 C--O 1.238 0.461 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 179.491 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 CA--C 1.538 0.501 0 N-CA-C 111.488 0.181 . . . . 0.0 111.488 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.03 -52.87 38.72 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 125.141 1.376 . . . . 0.0 111.253 -179.259 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.69 -33.21 69.9 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.951 0.9 . . . . 0.0 111.698 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 54.4 mttp -68.88 -45.45 70.95 Favored 'General case' 0 C--O 1.227 -0.099 0 N-CA-C 108.517 -0.919 . . . . 0.0 108.517 179.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 81.7 mt -60.63 -51.09 77.09 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 N-CA-C 107.259 -1.385 . . . . 0.0 107.259 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.74 -37.71 66.24 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 119.339 -0.363 . . . . 0.0 111.15 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -61.58 -56.87 15.18 Favored 'General case' 0 C--N 1.34 0.182 0 CA-C-O 118.485 -0.769 . . . . 0.0 110.222 179.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -58.27 -39.74 80.05 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.949 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 97.6 mtp -56.98 -36.87 70.85 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 119.914 1.234 . . . . 0.0 109.652 178.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.37 -11.49 52.78 Favored Glycine 0 CA--C 1.527 0.785 0 CA-C-O 118.62 -1.1 . . . . 0.0 112.824 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -95.18 -2.3 50.03 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.25 1.42 . . . . 0.0 109.577 178.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.0 68.66 1.14 Allowed Glycine 0 C--N 1.336 0.554 0 C-N-CA 126.182 1.849 . . . . 0.0 114.892 178.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -149.83 153.26 36.48 Favored 'General case' 0 C--O 1.239 0.544 0 C-N-CA 125.192 1.397 . . . . 0.0 107.93 178.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.11 148.99 39.24 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 122.312 0.245 . . . . 0.0 110.341 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -53.25 -38.46 63.01 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.058 0.943 . . . . 0.0 111.651 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -62.75 -53.21 57.79 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.779 1.632 . . . . 0.0 110.579 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -57.04 -48.39 78.63 Favored 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 125.68 1.592 . . . . 0.0 108.914 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 99.5 t -61.14 -47.14 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 C-N-CA 124.858 1.263 . . . . 0.0 110.087 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -56.64 -43.74 80.57 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -64.7 -50.55 66.52 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 119.447 -0.901 . . . . 0.0 109.261 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.25 -44.58 79.8 Favored 'General case' 0 N--CA 1.446 -0.635 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -65.06 -38.52 91.07 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 119.594 1.088 . . . . 0.0 109.842 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -62.34 -53.74 50.64 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 119.02 0.827 . . . . 0.0 109.386 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 64.6 mt -56.84 -44.75 82.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.39 4.67 1.63 Allowed 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.851 1.66 . . . . 0.0 113.735 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 50.49 47.64 23.76 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 123.157 1.456 . . . . 0.0 109.014 -177.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 52.42 54.68 10.27 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 130.993 3.717 . . . . 0.0 113.694 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -129.28 112.32 13.76 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 178.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.8 t -46.78 -49.53 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 C-N-CA 126.374 1.87 . . . . 0.0 112.025 -179.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -52.26 -40.15 61.35 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 124.826 1.25 . . . . 0.0 113.445 -178.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.764 HG11 HG11 ' B' ' 39' ' ' VAL . 42.6 t -86.94 -36.07 9.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 C-N-CA 123.771 0.828 . . . . 0.0 110.425 -178.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.56 -35.37 70.26 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 118.686 0.676 . . . . 0.0 109.223 178.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 64.6 mtt180 -58.32 -53.7 55.38 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.414 1.086 . . . . 0.0 109.12 178.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.0 m -56.71 -43.87 81.0 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.551 1.54 . . . . 0.0 110.434 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 66.0 mt -62.31 -50.05 81.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 C-N-CA 124.229 1.012 . . . . 0.0 109.105 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 33.8 mt -62.15 -28.37 69.6 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.881 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.9 mmt85 -65.17 -41.79 94.3 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 119.803 1.183 . . . . 0.0 109.873 179.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -70.61 -39.32 73.84 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.431 0.559 . . . . 0.0 109.777 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 . . . . . 0 CA--C 1.532 0.263 0 CA-C-N 118.978 0.808 . . . . 0.0 111.897 -179.648 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 9.1 p . . . . . 0 CA--C 1.537 0.444 0 N-CA-C 110.47 -0.196 . . . . 0.0 110.47 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -58.34 -34.47 70.67 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 124.877 1.271 . . . . 0.0 110.607 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.69 -45.28 62.38 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 43.8 mttp -63.04 -39.43 94.72 Favored 'General case' 0 C--O 1.225 -0.225 0 C-N-CA 124.375 1.07 . . . . 0.0 109.939 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 38.0 mt -63.02 -58.12 9.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 N-CA-C 106.535 -1.654 . . . . 0.0 106.535 178.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.06 -34.42 60.02 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 111.573 0.212 . . . . 0.0 111.573 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 18.2 tptt -59.22 -62.58 1.77 Allowed 'General case' 0 C--N 1.339 0.141 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 178.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -57.83 -40.21 79.48 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-O 118.64 -0.695 . . . . 0.0 111.175 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 91.4 mtp -59.79 -33.92 72.35 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 119.783 1.174 . . . . 0.0 110.018 178.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.8 -23.59 67.47 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 178.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -80.36 -1.5 41.45 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.01 1.324 . . . . 0.0 111.311 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.12 53.63 1.86 Allowed Glycine 0 C--N 1.339 0.711 0 CA-C-O 118.041 -1.422 . . . . 0.0 116.276 177.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -134.63 153.42 51.99 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-N 117.99 0.895 . . . . 0.0 110.954 178.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.06 151.86 45.03 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 125.126 1.37 . . . . 0.0 110.201 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -57.92 -41.02 81.8 Favored 'General case' 0 C--N 1.333 -0.15 0 O-C-N 121.562 -0.711 . . . . 0.0 111.8 -179.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -60.74 -48.79 80.22 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 123.339 0.656 . . . . 0.0 110.802 -178.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -63.14 -48.31 79.01 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 125.308 1.443 . . . . 0.0 110.438 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 96.3 t -60.69 -48.02 90.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 O-C-N 120.941 -1.1 . . . . 0.0 111.61 -179.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -59.09 -38.99 80.8 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -63.03 -54.61 35.49 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.47 -46.87 76.8 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 124.622 1.169 . . . . 0.0 112.571 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.31 -37.69 87.91 Favored 'General case' 0 C--N 1.342 0.282 0 CA-C-O 117.644 -1.169 . . . . 0.0 110.932 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -61.39 -55.1 35.24 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 119.932 1.242 . . . . 0.0 109.625 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 77.2 mt -54.36 -48.32 68.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 C-N-CA 125.218 1.407 . . . . 0.0 108.602 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.13 11.38 0.32 Allowed 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 126.471 1.909 . . . . 0.0 115.535 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 50.39 44.84 26.72 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 121.257 1.844 . . . . 0.0 108.955 -177.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 49.17 53.59 12.36 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 128.024 2.53 . . . . 0.0 111.128 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 64.7 t-20 -121.11 114.75 21.9 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 28.7 t -55.14 -46.01 77.45 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 C-N-CA 124.627 1.171 . . . . 0.0 111.011 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -59.46 -38.49 80.91 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 125.534 1.533 . . . . 0.0 111.863 -177.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.764 HG11 HG11 ' A' ' 39' ' ' VAL . 80.1 t -83.44 -40.43 16.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 179.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.72 -34.09 67.15 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 118.898 0.772 . . . . 0.0 109.719 179.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 -58.5 -50.1 74.99 Favored 'General case' 0 C--N 1.339 0.151 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 178.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 69.6 m -61.33 -42.22 98.32 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.744 0.818 . . . . 0.0 111.215 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 72.9 mt -59.75 -50.36 80.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 13.4 mt -63.24 -27.25 69.22 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.919 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 20.7 mmt85 -65.86 -38.36 88.63 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 120.448 1.476 . . . . 0.0 109.89 178.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -68.22 -49.64 59.38 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 118.502 0.592 . . . . 0.0 110.042 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -63.69 -51.81 63.4 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.913 0.885 . . . . 0.0 111.079 -179.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 40.9 t . . . . . 0 C--O 1.239 0.519 0 C-N-CA 125.662 1.585 . . . . 0.0 108.19 179.084 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.5 t . . . . . 0 CA--C 1.529 0.169 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -59.21 -44.9 92.27 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 123.605 0.762 . . . . 0.0 110.054 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.3 -16.63 63.78 Favored 'General case' 0 CA--C 1.527 0.085 0 C-N-CA 123.742 0.817 . . . . 0.0 112.096 179.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 47.7 mttp -93.34 -43.5 8.75 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.579 1.151 . . . . 0.0 108.202 179.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 63.5 mt -60.52 -53.67 45.73 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 178.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.21 -13.86 14.61 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.016 0.926 . . . . 0.0 112.244 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.9 tptm -77.47 -63.54 1.35 Allowed 'General case' 0 C--O 1.234 0.253 0 N-CA-C 107.386 -1.339 . . . . 0.0 107.386 178.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.67 -35.06 73.69 Favored 'General case' 0 CA--C 1.516 -0.35 0 C-N-CA 125.272 1.429 . . . . 0.0 111.77 -179.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 89.4 mtp -59.93 -18.86 48.3 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 118.668 0.667 . . . . 0.0 110.997 178.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.13 -26.95 65.15 Favored Glycine 0 CA--C 1.528 0.902 0 O-C-N 120.926 -1.109 . . . . 0.0 111.363 178.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -76.34 -11.01 59.83 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.914 1.286 . . . . 0.0 112.518 -179.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 117.08 -19.44 11.91 Favored Glycine 0 CA--C 1.526 0.732 0 C-N-CA 125.223 1.392 . . . . 0.0 114.833 178.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -62.64 146.87 51.02 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 118.538 1.169 . . . . 0.0 110.789 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.83 158.19 31.0 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 124.866 1.267 . . . . 0.0 111.229 -178.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -54.71 -45.29 74.0 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 113.134 0.791 . . . . 0.0 113.134 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -61.21 -49.18 78.2 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 112.805 0.668 . . . . 0.0 112.805 -178.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -58.93 -47.01 86.58 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 125.853 1.661 . . . . 0.0 109.237 -179.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 73.3 t -66.58 -52.13 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 124.592 1.157 . . . . 0.0 111.694 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.2 ttpt -54.88 -39.75 69.03 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.9 tpt180 -68.69 -45.64 71.12 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.47 -42.1 91.26 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.204 0.602 . . . . 0.0 111.929 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.55 -36.49 83.96 Favored 'General case' 0 C--N 1.342 0.247 0 CA-C-O 117.254 -1.355 . . . . 0.0 110.981 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -61.56 -53.31 57.98 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 120.616 1.553 . . . . 0.0 109.096 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 61.0 mt -56.94 -43.77 81.25 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 C-N-CA 125.083 1.353 . . . . 0.0 108.337 -179.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.22 6.6 3.4 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 127.611 2.364 . . . . 0.0 114.274 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.404 ' HG3' HG22 ' B' ' 39' ' ' VAL . 5.2 mm100 55.55 41.92 30.22 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 120.065 1.302 . . . . 0.0 110.047 -178.471 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.3 t30 51.42 62.85 2.5 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 128.214 2.606 . . . . 0.0 110.95 -179.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -139.58 113.04 8.37 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 124.849 1.26 . . . . 0.0 110.193 178.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.8 t -56.78 -42.24 77.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 C-N-CA 124.754 1.222 . . . . 0.0 110.159 179.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -55.16 -28.27 51.59 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 125.466 1.506 . . . . 0.0 111.518 -178.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.546 HG11 HG11 ' B' ' 39' ' ' VAL . 37.0 t -99.86 -41.44 9.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 CA-C-O 118.637 -0.697 . . . . 0.0 109.536 178.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.52 -31.69 36.72 Favored 'General case' 0 C--N 1.342 0.282 0 C-N-CA 123.637 0.775 . . . . 0.0 111.242 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 55.4 mtt180 -57.01 -53.9 52.78 Favored 'General case' 0 C--N 1.341 0.199 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 177.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.5 m -60.1 -34.71 73.85 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.048 0.539 . . . . 0.0 111.889 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 79.5 mt -67.54 -52.7 38.49 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 C-N-CA 123.904 0.882 . . . . 0.0 108.949 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.1 mt -61.32 -30.12 70.3 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.36 0.664 . . . . 0.0 110.14 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 57.9 mtp85 -65.44 -20.0 66.18 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.253 0.621 . . . . 0.0 110.911 178.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -99.32 -47.36 5.19 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 119.398 0.999 . . . . 0.0 108.514 177.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 . . . . . 0 C--N 1.343 0.308 0 CA-C-O 118.168 -0.92 . . . . 0.0 112.889 -179.495 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 48.3 t . . . . . 0 N--CA 1.465 0.285 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -60.77 -25.94 66.88 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 121.276 -0.89 . . . . 0.0 111.147 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.57 -19.28 63.54 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 118.56 0.618 . . . . 0.0 110.755 178.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 30.6 mttp -89.36 -41.83 11.9 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 125.657 1.583 . . . . 0.0 107.558 178.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 73.3 mt -59.44 -52.84 56.22 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.03 -28.65 64.67 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 13.5 tptm -64.74 -65.02 0.73 Allowed 'General case' 0 C--O 1.234 0.239 0 N-CA-C 107.778 -1.194 . . . . 0.0 107.778 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.6 -37.98 83.16 Favored 'General case' 0 C--O 1.225 -0.218 0 C-N-CA 124.302 1.041 . . . . 0.0 111.952 -179.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 81.0 mtp -58.09 -28.21 64.39 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 120.157 1.344 . . . . 0.0 110.176 179.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.26 -14.02 82.28 Favored Glycine 0 CA--C 1.526 0.726 0 O-C-N 121.276 -0.89 . . . . 0.0 112.153 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -80.64 -15.22 57.12 Favored 'General case' 0 C--O 1.228 -0.037 0 CA-C-N 118.749 1.275 . . . . 0.0 111.377 178.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.95 52.4 0.74 Allowed Glycine 0 CA--C 1.522 0.521 0 C-N-CA 124.698 1.142 . . . . 0.0 112.86 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -136.58 144.78 44.32 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 178.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.75 155.95 39.2 Favored 'General case' 0 C--O 1.233 0.2 0 O-C-N 123.776 0.672 . . . . 0.0 110.651 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -55.85 -42.52 75.94 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 121.961 -0.462 . . . . 0.0 110.95 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -66.01 -21.72 66.41 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.75 0.82 . . . . 0.0 113.073 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -87.85 -43.19 12.01 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 123.846 0.859 . . . . 0.0 108.712 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 81.6 t -69.52 -55.79 13.9 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 C-N-CA 125.392 1.477 . . . . 0.0 112.433 -178.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 17.1 ttpt -56.69 -37.55 71.04 Favored 'General case' 0 CA--C 1.523 -0.096 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 -65.53 -46.18 80.6 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.8 -45.79 81.99 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 122.677 0.391 . . . . 0.0 110.368 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.43 -41.02 98.41 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-O 117.972 -1.014 . . . . 0.0 109.651 179.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -53.94 -54.51 37.91 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.885 1.274 . . . . 0.0 110.248 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 80.2 mt -63.7 -49.55 81.73 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 C-N-CA 126.112 1.765 . . . . 0.0 110.241 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.85 6.87 0.44 Allowed 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 125.746 1.618 . . . . 0.0 114.701 -179.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 57.48 50.16 11.66 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.334 1.054 . . . . 0.0 108.376 -178.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 54.9 t30 48.54 50.99 16.17 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 128.009 2.524 . . . . 0.0 113.393 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 64.9 t-20 -127.71 118.34 23.62 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 120.723 -1.235 . . . . 0.0 109.543 179.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 24.1 t -60.78 -41.17 87.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 C-N-CA 125.91 1.684 . . . . 0.0 111.933 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -63.76 -25.55 68.24 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 124.273 1.029 . . . . 0.0 111.896 -178.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.546 HG11 HG11 ' A' ' 39' ' ' VAL . 64.6 t -99.19 -39.41 7.8 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 124.443 1.097 . . . . 0.0 109.958 -178.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.93 -30.02 68.77 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.069 0.948 . . . . 0.0 111.136 179.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -56.23 -48.76 75.85 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 178.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 29.7 m -61.55 -32.75 72.84 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 76.5 mt -67.6 -51.88 46.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 19.1 mt -59.65 -37.0 77.51 Favored 'General case' 0 C--O 1.226 -0.159 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 45.4 mtp85 -65.59 -25.1 67.25 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 118.983 -0.532 . . . . 0.0 111.138 178.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -91.32 -39.94 11.76 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 118.098 -0.953 . . . . 0.0 112.115 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -76.14 -52.42 10.14 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 119.242 0.928 . . . . 0.0 109.212 178.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.445 -0.703 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 74.7 t . . . . . 0 CA--C 1.533 0.306 0 N-CA-C 105.555 -2.017 . . . . 0.0 105.555 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -57.96 -44.75 87.2 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.095 1.358 . . . . 0.0 111.447 179.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.4 -16.56 63.74 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.839 -0.538 . . . . 0.0 110.874 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.438 ' HB3' HD11 ' A' ' 30' ' ' LEU . 27.7 mttp -90.41 -34.22 15.72 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 117.84 -1.076 . . . . 0.0 108.474 178.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 45.1 mt -57.59 -57.24 11.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 177.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.05 -35.61 64.67 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.639 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.1 tptm -63.11 -58.33 7.6 Favored 'General case' 0 C--O 1.226 -0.14 0 C-N-CA 123.727 0.811 . . . . 0.0 110.118 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.403 ' HB2' HG13 ' A' ' 26' ' ' VAL . 4.3 mm? -64.04 -36.65 84.68 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-O 118.105 -0.95 . . . . 0.0 111.87 -179.19 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 92.1 mtp -56.17 -37.62 69.81 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 119.68 1.127 . . . . 0.0 109.797 179.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.2 -17.64 59.46 Favored Glycine 0 C--N 1.34 0.788 0 C-N-CA 124.773 1.178 . . . . 0.0 113.787 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -79.22 -18.23 53.29 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.984 1.392 . . . . 0.0 110.086 179.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.03 59.26 0.66 Allowed Glycine 0 CA--C 1.527 0.797 0 C-N-CA 125.034 1.302 . . . . 0.0 111.948 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -137.33 159.38 42.09 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 125.296 1.438 . . . . 0.0 108.105 178.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.75 148.78 26.86 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.441 0.564 . . . . 0.0 109.601 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -51.31 -42.52 61.25 Favored 'General case' 0 C--O 1.231 0.089 0 C-N-CA 125.154 1.381 . . . . 0.0 112.389 -179.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -61.62 -31.74 71.84 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -178.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -84.59 -36.85 21.77 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 124.286 1.035 . . . . 0.0 110.095 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.403 HG13 ' HB2' ' A' ' 16' ' ' LEU . 44.7 t -62.7 -46.48 96.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 C-N-CA 124.803 1.241 . . . . 0.0 108.953 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -58.85 -39.6 81.76 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -63.61 -50.49 69.18 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.54 -48.51 74.59 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.534 0.733 . . . . 0.0 112.873 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.438 HD11 ' HB3' ' A' ' 12' ' ' LYS . 4.1 mm? -63.96 -41.53 97.55 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 118.519 -0.753 . . . . 0.0 112.759 -178.621 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -60.09 -52.0 67.22 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 118.834 0.743 . . . . 0.0 109.483 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 88.2 mt -60.51 -52.25 63.59 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 C-N-CA 125.148 1.379 . . . . 0.0 111.257 -179.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.6 ' HB2' HD12 ' A' ' 43' ' ' ILE . . . -73.01 8.74 1.43 Allowed 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 115.246 1.573 . . . . 0.0 115.246 -178.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 55.79 57.27 5.34 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 122.859 1.314 . . . . 0.0 110.656 -179.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 40.54 55.26 2.92 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 130.819 3.647 . . . . 0.0 114.753 179.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 56.9 t-20 -126.11 110.78 13.9 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 127.037 2.135 . . . . 0.0 108.252 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 38.1 t -52.08 -42.84 36.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 C-N-CA 125.328 1.451 . . . . 0.0 111.942 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -56.42 -52.11 65.87 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.73 1.212 . . . . 0.0 112.181 -178.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.48 ' HB ' ' HB1' ' A' ' 33' ' ' ALA . 14.7 t -71.87 -39.99 68.17 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 C-N-CA 124.479 1.112 . . . . 0.0 109.847 -179.468 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.55 -36.54 69.4 Favored 'General case' 0 CA--C 1.53 0.203 0 O-C-N 121.481 -0.762 . . . . 0.0 111.482 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.6 mtm180 -61.83 -46.09 91.01 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 178.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 75.0 m -59.59 -34.38 72.66 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 118.91 0.777 . . . . 0.0 111.364 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.6 HD12 ' HB2' ' A' ' 33' ' ' ALA . 58.3 mt -63.92 -50.64 76.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.042 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.8 mt -62.15 -24.77 67.37 Favored 'General case' 0 CA--C 1.527 0.085 0 C-N-CA 124.237 1.015 . . . . 0.0 111.333 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 23.0 mmt85 -64.1 -38.56 91.5 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 120.006 1.275 . . . . 0.0 110.529 178.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -76.82 -39.55 50.93 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 . . . . . 0 C--O 1.226 -0.141 0 CA-C-N 118.381 0.537 . . . . 0.0 111.94 -179.585 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 48.7 t . . . . . 0 CA--C 1.529 0.169 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -57.76 -49.36 76.85 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 124.568 1.147 . . . . 0.0 110.854 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.41 -18.33 64.61 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 121.947 -0.471 . . . . 0.0 111.575 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -84.18 -42.07 16.35 Favored 'General case' 0 CA--C 1.518 -0.267 0 C-N-CA 123.657 0.783 . . . . 0.0 109.531 179.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 49.7 mt -59.09 -54.7 30.59 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.24 -35.16 25.64 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 36.1 tttt -62.01 -56.17 21.82 Favored 'General case' 0 CA--C 1.527 0.058 0 C-N-CA 125.611 1.564 . . . . 0.0 111.233 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -67.08 -36.89 82.97 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-N 118.744 0.702 . . . . 0.0 109.665 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 99.3 mtp -59.19 -33.18 70.65 Favored 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.08 -27.29 62.27 Favored Glycine 0 CA--C 1.526 0.723 0 CA-C-O 118.833 -0.982 . . . . 0.0 112.803 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -71.87 -21.36 61.67 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 118.697 1.248 . . . . 0.0 110.595 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.81 -8.41 6.45 Favored Glycine 0 CA--C 1.527 0.818 0 CA-C-O 117.911 -1.494 . . . . 0.0 114.245 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -69.28 163.68 24.5 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 119.143 1.471 . . . . 0.0 111.988 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.51 155.53 19.6 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.556 1.543 . . . . 0.0 109.94 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -56.47 -46.69 80.29 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 124.586 1.154 . . . . 0.0 113.651 -179.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -56.8 -45.78 81.99 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 112.516 0.561 . . . . 0.0 112.516 -177.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -63.05 -49.21 75.46 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 126.279 1.832 . . . . 0.0 110.588 -178.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 75.2 t -65.32 -50.85 70.9 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 C-N-CA 124.263 1.025 . . . . 0.0 111.416 -179.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.3 ttpt -55.22 -39.53 69.78 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -67.79 -50.29 57.74 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.41 -43.18 75.05 Favored 'General case' 0 N--CA 1.457 -0.088 0 C-N-CA 124.444 1.097 . . . . 0.0 112.265 -179.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.83 -33.04 73.44 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 117.234 -1.365 . . . . 0.0 110.476 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -69.81 -50.82 39.2 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 120.807 1.64 . . . . 0.0 109.593 179.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 65.4 mt -55.57 -39.39 54.05 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 C-N-CA 123.845 0.858 . . . . 0.0 109.6 -179.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.17 3.56 14.86 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 127.541 2.337 . . . . 0.0 113.871 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 54.96 55.74 7.41 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.757 1.223 . . . . 0.0 108.096 -177.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 29.6 m120 44.51 54.9 6.11 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 130.711 3.605 . . . . 0.0 111.031 -179.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 56.7 t-20 -127.7 121.19 29.73 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 123.869 0.868 . . . . 0.0 110.467 -179.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 23.9 t -65.09 -44.32 95.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 124.242 1.017 . . . . 0.0 111.398 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -56.63 -42.14 78.34 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 123.955 0.902 . . . . 0.0 110.312 -178.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.554 HG13 ' HA ' ' A' ' 33' ' ' ALA . 61.4 t -80.3 -40.08 19.6 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 122.638 0.375 . . . . 0.0 111.345 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.73 -30.1 55.27 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 119.167 0.894 . . . . 0.0 111.332 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 42.7 mtt-85 -53.03 -59.43 4.55 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.229 1.011 . . . . 0.0 109.727 178.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 3.5 m -60.39 -32.82 71.68 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.135 0.974 . . . . 0.0 112.892 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 66.8 mt -66.89 -53.53 33.53 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-N 119.256 0.935 . . . . 0.0 108.595 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 19.8 mt -58.68 -32.1 68.82 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 122.719 0.408 . . . . 0.0 110.506 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -66.24 -20.34 66.09 Favored 'General case' 0 C--N 1.339 0.149 0 CA-C-O 118.009 -0.996 . . . . 0.0 111.603 179.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -92.07 -45.43 8.3 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 120.447 1.476 . . . . 0.0 110.426 178.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -68.18 -30.14 69.17 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 123.688 0.617 . . . . 0.0 112.149 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 32.7 t . . . . . 0 N--CA 1.453 -0.3 0 C-N-CA 123.989 0.916 . . . . 0.0 110.998 -179.758 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.225 -0.235 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -57.27 -46.63 82.91 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 118.719 0.69 . . . . 0.0 111.248 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.13 -16.27 51.4 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 118.892 0.769 . . . . 0.0 112.778 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.5 mttt -91.36 -43.46 9.75 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 107.599 -1.259 . . . . 0.0 107.599 179.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 52.5 mt -59.14 -51.75 68.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 N-CA-C 106.901 -1.518 . . . . 0.0 106.901 178.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.66 -44.72 66.38 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 178.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.6 tttp -58.47 -57.63 12.08 Favored 'General case' 0 C--N 1.34 0.156 0 CA-C-O 118.03 -0.986 . . . . 0.0 111.223 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -58.87 -38.63 79.24 Favored 'General case' 0 C--N 1.343 0.286 0 CA-C-N 119.657 1.117 . . . . 0.0 110.898 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 80.1 mtp -58.09 -33.45 69.11 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 119.34 0.973 . . . . 0.0 109.412 179.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.19 -16.39 73.07 Favored Glycine 0 CA--C 1.533 1.164 0 C-N-CA 125.148 1.356 . . . . 0.0 112.502 178.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -79.72 -20.09 47.27 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 119.25 1.525 . . . . 0.0 109.166 178.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.88 55.68 0.44 Allowed Glycine 0 C--N 1.337 0.629 0 C-N-CA 125.576 1.56 . . . . 0.0 112.106 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -139.49 150.57 45.31 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 118.391 1.095 . . . . 0.0 108.068 178.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.37 155.92 24.48 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 121.616 0.722 . . . . 0.0 111.0 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -55.86 -39.12 71.04 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.922 1.289 . . . . 0.0 113.331 -179.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -67.97 -20.16 65.02 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 122.953 0.501 . . . . 0.0 112.099 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -91.78 -46.49 7.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 122.573 1.178 . . . . 0.0 109.074 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 89.0 t -65.08 -53.34 42.24 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 C-N-CA 125.676 1.591 . . . . 0.0 113.321 -177.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -55.58 -38.14 68.99 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 118.217 0.462 . . . . 0.0 110.106 -179.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.8 tpt180 -62.87 -50.7 69.86 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 179.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.62 -41.19 85.36 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.077 0.399 . . . . 0.0 111.728 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -67.21 -32.6 73.76 Favored 'General case' 0 C--N 1.341 0.225 0 O-C-N 121.023 -1.048 . . . . 0.0 110.99 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -65.05 -52.92 53.03 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 178.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 66.8 mt -58.28 -51.58 69.47 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 124.527 1.131 . . . . 0.0 109.586 -179.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.77 6.22 0.52 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.519 1.928 . . . . 0.0 115.61 -179.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 54.82 31.38 15.5 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 120.332 1.424 . . . . 0.0 109.996 -177.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.2 m120 71.65 22.33 4.08 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 130.733 3.613 . . . . 0.0 115.911 179.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 -92.08 118.6 30.97 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 120.446 1.476 . . . . 0.0 107.692 178.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 25.6 t -61.82 -42.88 96.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 O-C-N 121.194 -0.941 . . . . 0.0 111.149 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -53.08 -39.56 63.41 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 123.955 0.902 . . . . 0.0 110.947 -177.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.438 HG11 HG11 ' B' ' 39' ' ' VAL . 60.7 t -80.59 -45.51 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.575 0 C-N-CA 126.832 2.053 . . . . 0.0 110.43 -179.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.4 -28.82 60.44 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.568 0.747 . . . . 0.0 111.934 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -59.68 -50.02 75.46 Favored 'General case' 0 C--O 1.227 -0.11 0 CA-C-O 118.955 -0.545 . . . . 0.0 110.06 178.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.2 m -56.67 -41.77 77.83 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.373 0.669 . . . . 0.0 111.868 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 69.2 mt -57.33 -56.97 12.01 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 N-CA-C 108.05 -1.092 . . . . 0.0 108.05 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 40.0 mt -59.34 -32.67 70.31 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 118.43 -0.795 . . . . 0.0 111.854 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 32.1 mtm180 -68.08 -28.35 67.28 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 119.556 1.071 . . . . 0.0 112.255 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -94.99 -29.35 14.67 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 118.954 0.797 . . . . 0.0 111.736 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 . . . . . 0 CA--C 1.535 0.397 0 N-CA-C 105.194 -2.15 . . . . 0.0 105.194 176.806 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 8.8 t . . . . . 0 N--CA 1.465 0.306 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -60.83 -47.69 85.21 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 123.943 0.897 . . . . 0.0 112.717 -179.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.36 -20.12 58.22 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.425 0.69 . . . . 0.0 111.527 179.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 48.7 mttp -89.36 -44.27 10.33 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 44.4 mt -54.55 -53.2 33.3 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.084 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.24 -21.9 64.31 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 179.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 38.8 tttp -77.41 -54.65 6.19 Favored 'General case' 0 C--N 1.34 0.195 0 O-C-N 120.645 -1.285 . . . . 0.0 108.522 178.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -63.14 -40.41 97.49 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 119.648 1.113 . . . . 0.0 109.531 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 92.2 mtp -62.87 -30.03 71.21 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 178.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.65 -34.23 85.45 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 109.748 -1.341 . . . . 0.0 109.748 179.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -66.17 -49.24 68.05 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 105.122 -2.177 . . . . 0.0 105.122 177.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 151.98 -7.12 0.55 Allowed Glycine 0 C--N 1.343 0.931 0 CA-C-O 117.287 -1.84 . . . . 0.0 117.434 178.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -68.86 150.16 48.1 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 120.704 2.252 . . . . 0.0 112.157 -178.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.75 155.97 39.73 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 125.345 1.458 . . . . 0.0 112.506 -179.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -56.91 -41.29 77.87 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.004 0.521 . . . . 0.0 112.049 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.8 -31.47 71.69 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 123.852 0.861 . . . . 0.0 111.853 -179.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -84.45 -45.47 12.65 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 123.698 0.799 . . . . 0.0 111.311 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 80.3 t -60.51 -61.03 1.72 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 C-N-CA 125.621 1.568 . . . . 0.0 112.933 -177.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 12.2 tttt -56.16 -35.45 67.19 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 118.762 0.71 . . . . 0.0 111.093 -178.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -64.25 -53.11 54.25 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 106.91 -1.515 . . . . 0.0 106.91 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.18 -43.11 82.3 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.122 0.569 . . . . 0.0 111.143 179.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.27 -28.03 68.4 Favored 'General case' 0 N--CA 1.464 0.238 0 O-C-N 121.316 -0.865 . . . . 0.0 111.519 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -71.48 -55.47 7.82 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 107.394 -1.335 . . . . 0.0 107.394 178.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 28.1 mt -54.06 -46.77 66.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 C-N-CA 125.971 1.708 . . . . 0.0 110.04 -179.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.35 7.03 2.48 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.559 1.944 . . . . 0.0 115.289 -179.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 51.74 40.35 27.36 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 120.928 1.695 . . . . 0.0 108.165 -176.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 7.3 m120 66.59 9.31 6.5 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 129.559 3.143 . . . . 0.0 114.545 -179.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -76.93 117.24 18.32 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 121.822 2.101 . . . . 0.0 111.041 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 52.0 t -58.53 -42.81 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 C-N-CA 124.695 1.198 . . . . 0.0 111.453 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -65.21 -26.51 68.16 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -177.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.438 HG11 HG11 ' A' ' 39' ' ' VAL . 86.9 t -86.24 -44.16 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 N-CA-C 106.614 -1.624 . . . . 0.0 106.614 178.365 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.12 -35.89 49.57 Favored 'General case' 0 C--N 1.343 0.318 0 C-N-CA 123.971 0.908 . . . . 0.0 110.81 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 30.9 mtt85 -55.58 -53.16 59.9 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 118.655 0.661 . . . . 0.0 110.084 178.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 11.9 m -57.27 -29.1 63.57 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 125.068 1.347 . . . . 0.0 113.484 -179.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 71.8 mt -76.25 -51.85 18.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 C-N-CA 124.782 1.233 . . . . 0.0 107.846 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 59.6 mt -61.4 -32.38 72.32 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.426 0.691 . . . . 0.0 110.424 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -63.67 -34.69 78.41 Favored 'General case' 0 C--N 1.343 0.307 0 CA-C-O 118.822 -0.609 . . . . 0.0 110.546 179.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -84.67 -43.16 14.62 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 119.677 1.126 . . . . 0.0 109.952 179.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -66.36 -52.14 49.98 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 115.259 1.577 . . . . 0.0 115.259 -179.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 33.4 t . . . . . 0 N--CA 1.466 0.353 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -178.459 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.8 t . . . . . 0 CA--C 1.52 -0.209 0 N-CA-C 108.725 -0.842 . . . . 0.0 108.725 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -59.39 -42.66 92.24 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -179.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.35 -34.4 77.24 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.839 -0.538 . . . . 0.0 110.527 178.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 45.5 mttt -68.49 -41.52 79.95 Favored 'General case' 0 C--O 1.224 -0.239 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 178.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 36.4 mt -57.78 -53.33 46.38 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.302 0 N-CA-C 105.676 -1.972 . . . . 0.0 105.676 178.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.57 -35.43 65.76 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 122.452 0.301 . . . . 0.0 111.652 178.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.5 tptp -61.52 -52.38 64.71 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.064 0.946 . . . . 0.0 109.0 178.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.92 -35.65 67.09 Favored 'General case' 0 C--O 1.225 -0.193 0 CA-C-N 119.411 1.005 . . . . 0.0 111.999 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 83.2 mtp -58.75 -35.79 73.3 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 119.893 1.224 . . . . 0.0 107.984 178.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.62 -18.54 61.58 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 125.095 1.331 . . . . 0.0 112.7 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -72.12 -35.62 69.19 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 119.48 1.64 . . . . 0.0 108.201 178.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 122.84 58.57 0.2 Allowed Glycine 0 CA--C 1.525 0.686 0 C-N-CA 125.017 1.294 . . . . 0.0 111.976 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -137.13 160.3 39.37 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 125.363 1.465 . . . . 0.0 109.197 178.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.16 157.49 25.26 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.987 0.915 . . . . 0.0 110.025 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -55.98 -43.62 77.76 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.474 1.11 . . . . 0.0 113.237 -178.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -56.83 -49.49 75.26 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 118.889 0.768 . . . . 0.0 112.072 -178.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -59.34 -48.46 81.55 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 126.028 1.731 . . . . 0.0 110.709 -178.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 87.9 t -62.76 -46.35 96.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 123.851 0.86 . . . . 0.0 110.566 -179.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.33 -37.38 83.05 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 118.949 -0.548 . . . . 0.0 109.627 -179.749 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.11 -54.19 47.7 Favored 'General case' 0 C--N 1.34 0.186 0 C-N-CA 125.204 1.402 . . . . 0.0 107.377 179.029 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.31 -49.13 72.97 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 124.629 1.171 . . . . 0.0 110.982 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.91 -36.02 83.03 Favored 'General case' 0 C--N 1.34 0.183 0 CA-C-N 119.759 1.163 . . . . 0.0 111.924 -179.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -63.27 -56.25 18.04 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-N 119.871 1.214 . . . . 0.0 109.454 179.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 77.4 mt -57.21 -50.41 76.71 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 C-N-CA 125.363 1.465 . . . . 0.0 108.447 -179.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.97 4.7 0.41 Allowed 'General case' 0 C--O 1.234 0.268 0 C-N-CA 126.646 1.978 . . . . 0.0 114.837 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.451 ' CG ' HG22 ' B' ' 39' ' ' VAL . 15.2 mm-40 53.48 43.38 31.36 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 120.549 1.522 . . . . 0.0 108.471 -178.492 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 12.3 m120 58.17 27.04 14.49 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 128.742 2.817 . . . . 0.0 114.329 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 64.1 t-20 -99.56 118.78 36.87 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 120.323 1.419 . . . . 0.0 110.449 179.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 16.1 t -57.57 -44.28 84.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 C-N-CA 124.862 1.265 . . . . 0.0 110.171 179.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -60.05 -22.92 63.29 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 124.712 1.205 . . . . 0.0 113.933 -178.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.676 HG11 HG11 ' B' ' 39' ' ' VAL . 59.3 t -99.41 -40.92 9.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 179.196 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.09 -34.6 57.33 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.802 0.841 . . . . 0.0 111.9 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 37.8 ttt-85 -56.21 -52.2 65.29 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.028 0.531 . . . . 0.0 110.188 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 45.5 m -64.27 -31.02 72.06 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.231 0.612 . . . . 0.0 111.865 179.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 74.1 mt -68.36 -48.59 72.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-N 119.442 1.019 . . . . 0.0 108.561 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.6 mt -58.46 -32.06 68.39 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.277 0.631 . . . . 0.0 110.459 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.9 mmt85 -66.0 -21.49 66.41 Favored 'General case' 0 N--CA 1.461 0.11 0 C-N-CA 123.589 0.755 . . . . 0.0 111.91 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -100.34 -39.4 8.02 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 117.434 -1.269 . . . . 0.0 110.375 179.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 . . . . . 0 CA--C 1.533 0.324 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.448 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 6.6 t . . . . . 0 N--CA 1.467 0.377 0 CA-C-O 119.44 -0.314 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.16 -45.29 75.71 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.408 -0.807 . . . . 0.0 111.575 -179.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.27 -34.93 79.51 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.762 -0.586 . . . . 0.0 110.537 178.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 52.1 mttt -64.96 -42.11 94.88 Favored 'General case' 0 C--O 1.225 -0.224 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 178.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 58.2 mt -55.51 -54.18 28.34 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 N-CA-C 107.435 -1.321 . . . . 0.0 107.435 178.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.12 -37.44 71.97 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 119.618 -0.23 . . . . 0.0 110.83 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 15.0 tptp -60.96 -56.37 21.87 Favored 'General case' 0 C--N 1.341 0.199 0 C-N-CA 123.823 0.849 . . . . 0.0 109.401 179.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.09 -41.87 97.45 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 117.831 -1.081 . . . . 0.0 111.167 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 92.0 mtp -55.58 -36.3 66.72 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 120.002 1.273 . . . . 0.0 110.118 179.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.16 -23.83 62.43 Favored Glycine 0 C--N 1.339 0.743 0 C-N-CA 124.041 0.829 . . . . 0.0 112.822 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -73.73 -6.68 48.38 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.149 1.475 . . . . 0.0 110.011 178.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.42 60.13 1.01 Allowed Glycine 0 C--N 1.339 0.747 0 C-N-CA 127.01 2.243 . . . . 0.0 112.109 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -138.33 152.66 48.69 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 118.063 0.932 . . . . 0.0 109.349 178.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.18 153.62 29.9 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 123.097 0.559 . . . . 0.0 109.595 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -54.58 -42.92 71.62 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 -178.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -64.48 -37.59 88.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 119.37 0.986 . . . . 0.0 112.212 -178.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -68.74 -46.77 68.01 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 179.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 73.9 t -59.43 -49.17 84.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 124.874 1.27 . . . . 0.0 111.668 -179.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -56.59 -39.74 74.07 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.15 -52.07 65.31 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 179.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.43 -48.97 71.05 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 124.137 0.975 . . . . 0.0 110.83 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.7 -41.31 97.41 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 119.533 1.061 . . . . 0.0 110.53 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -62.4 -58.12 8.79 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 118.982 0.81 . . . . 0.0 110.522 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 75.1 mt -57.43 -46.96 85.74 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 C-N-CA 125.106 1.363 . . . . 0.0 110.084 -179.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.494 ' HB2' HD12 ' B' ' 43' ' ' ILE . . . -75.64 16.7 0.35 Allowed 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 -179.542 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 50.96 42.54 28.4 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.824 1.193 . . . . 0.0 111.253 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 8.2 m120 58.02 15.28 3.08 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 129.087 2.955 . . . . 0.0 114.33 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 57.8 t-20 -85.17 108.38 17.68 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.261 1.425 . . . . 0.0 108.061 177.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 37.1 t -52.43 -40.83 33.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 CA-C-N 119.968 1.258 . . . . 0.0 111.502 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -52.37 -31.12 32.22 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 125.19 1.396 . . . . 0.0 113.651 -178.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.676 HG11 HG11 ' A' ' 39' ' ' VAL . 64.1 t -99.7 -35.02 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 C-N-CA 123.784 0.834 . . . . 0.0 111.292 -179.184 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.81 -37.68 63.79 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 119.0 0.818 . . . . 0.0 110.215 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -55.59 -48.52 74.7 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.297 1.039 . . . . 0.0 110.702 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 13.1 m -70.56 -27.64 64.28 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.375 1.07 . . . . 0.0 112.094 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.494 HD12 ' HB2' ' B' ' 33' ' ' ALA . 81.5 mt -70.58 -47.58 63.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 178.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 17.0 mt -59.75 -29.71 68.34 Favored 'General case' 0 CA--C 1.527 0.079 0 C-N-CA 123.48 0.712 . . . . 0.0 110.832 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.06 -29.91 70.62 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 122.937 0.495 . . . . 0.0 111.775 179.101 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -91.61 -43.63 9.52 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -63.63 -52.87 58.94 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 119.243 0.929 . . . . 0.0 111.525 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 9.4 t . . . . . 0 CA--C 1.539 0.532 0 C-N-CA 123.602 0.761 . . . . 0.0 110.51 179.783 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 CA--C 1.53 0.206 0 N-CA-C 110.565 -0.161 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -53.81 -37.0 63.1 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 124.742 1.217 . . . . 0.0 113.269 -178.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.78 -33.54 74.27 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 122.804 0.442 . . . . 0.0 110.327 179.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.7 mttp -74.31 -37.13 63.71 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 123.844 0.858 . . . . 0.0 109.537 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 92.6 mt -59.64 -51.25 74.98 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 N-CA-C 106.475 -1.676 . . . . 0.0 106.475 178.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.72 -38.65 75.64 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 118.059 0.391 . . . . 0.0 110.924 179.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.0 tptp -61.23 -57.61 11.72 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.986 0.914 . . . . 0.0 110.684 179.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.71 -37.54 82.04 Favored 'General case' 0 C--N 1.339 0.147 0 CA-C-N 118.973 0.806 . . . . 0.0 110.79 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 52.2 mmm -57.94 -28.21 64.1 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 118.309 0.504 . . . . 0.0 110.842 178.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.58 -17.25 79.02 Favored Glycine 0 CA--C 1.529 0.965 0 C-N-CA 124.121 0.867 . . . . 0.0 112.899 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -78.26 -26.0 47.04 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 118.849 1.324 . . . . 0.0 110.651 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 119.86 50.65 0.29 Allowed Glycine 0 C--N 1.336 0.583 0 C-N-CA 123.916 0.769 . . . . 0.0 113.814 179.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -132.39 155.23 48.83 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 123.907 0.883 . . . . 0.0 109.85 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.57 154.82 30.03 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 121.543 0.687 . . . . 0.0 111.232 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -54.84 -40.83 70.02 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 124.971 1.308 . . . . 0.0 114.126 -177.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -62.04 -55.2 31.59 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 121.458 0.647 . . . . 0.0 109.335 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -56.25 -45.22 80.14 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 126.816 2.046 . . . . 0.0 111.487 -179.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.5 t -65.26 -57.05 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 C-N-CA 124.151 0.98 . . . . 0.0 110.877 -179.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -55.69 -38.19 69.33 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -62.48 -51.74 66.27 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.67 -38.12 77.48 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -64.38 -43.57 94.05 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 117.492 -1.242 . . . . 0.0 110.132 179.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.93 -43.54 98.62 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 119.762 1.165 . . . . 0.0 110.572 179.645 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 86.0 mt -63.14 -49.58 82.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.68 8.47 0.86 Allowed 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 54.6 47.05 23.51 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.686 1.13 . . . . 0.0 108.566 -177.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 47.78 59.29 4.28 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 128.846 2.858 . . . . 0.0 113.197 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -128.52 130.02 46.86 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 125.627 1.571 . . . . 0.0 107.186 179.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.8 t -66.95 -54.17 27.3 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 C-N-CA 124.085 0.954 . . . . 0.0 113.06 -178.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -53.39 -48.57 68.53 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 122.383 1.087 . . . . 0.0 110.866 -178.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.578 HG11 HG11 ' B' ' 39' ' ' VAL . 25.1 t -68.57 -43.63 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.815 0 C-N-CA 123.97 0.908 . . . . 0.0 108.988 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.1 -35.67 77.64 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 119.99 1.268 . . . . 0.0 111.404 179.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 56.1 mtt85 -60.07 -45.78 91.73 Favored 'General case' 0 C--O 1.219 -0.547 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 178.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.6 m -52.72 -36.05 56.89 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.595 0.758 . . . . 0.0 112.391 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 97.2 mt -70.68 -55.77 13.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 C-N-CA 124.33 1.052 . . . . 0.0 108.776 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 24.7 mt -60.56 -31.4 70.52 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.168 0.587 . . . . 0.0 111.234 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.4 mtp85 -63.78 -29.35 70.57 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 125.37 1.468 . . . . 0.0 110.072 178.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -91.98 -44.73 8.71 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.56 1.144 . . . . 0.0 110.946 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 . . . . . 0 C--N 1.34 0.176 0 CA-C-N 118.831 0.741 . . . . 0.0 110.547 -179.535 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.459 0.171 . . . . 0.0 110.749 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.27 -45.07 92.23 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 126.785 2.034 . . . . 0.0 110.92 -178.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.21 -39.78 79.92 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.553 0.741 . . . . 0.0 111.108 178.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 15.7 mttp -66.49 -45.96 77.87 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 119.164 -0.446 . . . . 0.0 109.978 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 89.8 mt -59.78 -47.12 92.52 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 N-CA-C 106.421 -1.696 . . . . 0.0 106.421 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.03 -19.55 65.28 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.226 -0.921 . . . . 0.0 113.077 179.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 29.5 tttp -78.18 -58.96 2.98 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 120.495 1.498 . . . . 0.0 109.87 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.425 ' HB2' HG13 ' B' ' 26' ' ' VAL . 3.7 mm? -58.16 -33.17 68.92 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 119.571 1.078 . . . . 0.0 110.71 -179.441 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 54.9 mmm -59.73 -20.73 58.36 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.859 0.864 . . . . 0.0 111.805 178.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -81.97 -29.03 39.48 Favored Glycine 0 C--N 1.334 0.443 0 N-CA-C 110.452 -1.059 . . . . 0.0 110.452 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -63.92 -35.12 79.63 Favored 'General case' 0 C--N 1.34 0.155 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 179.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 143.2 -21.44 2.27 Favored Glycine 0 CA--C 1.527 0.784 0 C-N-CA 124.249 0.928 . . . . 0.0 114.909 178.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -61.22 150.55 34.22 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.501 1.15 . . . . 0.0 113.962 -177.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.24 151.41 39.92 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 126.171 1.789 . . . . 0.0 112.194 -178.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -57.26 -41.92 80.6 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 123.605 0.762 . . . . 0.0 112.47 -179.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -67.26 -22.09 65.69 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -178.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -91.87 -43.95 9.21 Favored 'General case' 0 C--O 1.224 -0.247 0 C-N-CA 124.799 1.24 . . . . 0.0 108.908 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.425 HG13 ' HB2' ' B' ' 16' ' ' LEU . 77.4 t -62.5 -54.32 35.55 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 C-N-CA 124.046 0.938 . . . . 0.0 109.972 -179.331 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -55.86 -37.9 69.4 Favored 'General case' 0 CA--C 1.521 -0.14 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -65.48 -54.35 29.61 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.88 -40.41 76.15 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 124.095 0.958 . . . . 0.0 112.192 -179.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.59 -43.51 96.74 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 120.082 1.31 . . . . 0.0 110.56 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -61.88 -46.13 90.75 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-N 120.366 1.439 . . . . 0.0 110.213 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 71.5 mt -63.34 -32.21 55.66 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -87.45 9.56 20.39 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.966 2.106 . . . . 0.0 112.694 179.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 51.89 47.64 24.37 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.044 1.337 . . . . 0.0 110.158 -178.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 64.1 m-20 52.98 52.68 13.36 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 129.278 3.031 . . . . 0.0 112.06 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -129.46 114.6 16.34 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.92 0.888 . . . . 0.0 110.005 178.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.2 t -54.49 -44.33 67.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 125.985 1.714 . . . . 0.0 111.374 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -56.07 -38.29 70.45 Favored 'General case' 0 N--CA 1.458 -0.06 0 C-N-CA 123.424 0.69 . . . . 0.0 112.515 -178.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.578 HG11 HG11 ' A' ' 39' ' ' VAL . 57.4 t -87.63 -37.91 11.36 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 C-N-CA 123.145 0.578 . . . . 0.0 110.522 -179.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.89 -33.92 52.46 Favored 'General case' 0 C--N 1.344 0.352 0 CA-C-N 118.286 0.494 . . . . 0.0 111.248 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 30.5 mtt85 -55.99 -49.76 72.73 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 122.993 0.517 . . . . 0.0 111.699 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.5 m -63.54 -29.35 70.62 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 124.203 1.001 . . . . 0.0 112.24 -178.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 71.6 mt -74.88 -49.22 29.95 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 178.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 63.0 mt -58.64 -33.35 69.96 Favored 'General case' 0 C--N 1.339 0.14 0 C-N-CA 123.931 0.893 . . . . 0.0 109.77 179.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -64.42 -20.21 66.01 Favored 'General case' 0 N--CA 1.462 0.139 0 C-N-CA 124.62 1.168 . . . . 0.0 111.852 178.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -88.25 -57.88 2.76 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 106.74 -1.578 . . . . 0.0 106.74 177.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -62.86 -28.5 70.07 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 -177.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 42.6 t . . . . . 0 C--O 1.234 0.284 0 CA-C-N 119.94 1.245 . . . . 0.0 111.697 179.485 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.0 t . . . . . 0 CA--C 1.533 0.298 0 N-CA-C 108.463 -0.939 . . . . 0.0 108.463 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.61 -53.25 58.83 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.027 0.931 . . . . 0.0 110.326 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.59 -10.42 12.13 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 179.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.9 mttt -93.98 -34.67 12.96 Favored 'General case' 0 C--O 1.227 -0.129 0 O-C-N 120.975 -1.078 . . . . 0.0 108.576 178.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 94.4 mt -63.31 -58.79 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.19 -33.9 63.42 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 122.073 -0.392 . . . . 0.0 111.462 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.6 tttp -61.12 -56.48 20.37 Favored 'General case' 0 C--N 1.34 0.16 0 C-N-CA 123.112 0.565 . . . . 0.0 110.595 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.61 -35.48 81.15 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 118.083 -0.96 . . . . 0.0 110.984 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 87.8 mtp -56.95 -35.12 68.74 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 177.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.17 -22.33 62.8 Favored Glycine 0 C--N 1.342 0.909 0 C-N-CA 125.679 1.609 . . . . 0.0 113.301 178.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -71.22 -19.92 62.32 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 119.266 1.533 . . . . 0.0 107.304 177.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.04 60.24 0.53 Allowed Glycine 0 C--N 1.34 0.787 0 C-N-CA 127.933 2.682 . . . . 0.0 112.639 179.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -138.75 158.97 43.25 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 124.875 1.27 . . . . 0.0 109.699 178.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.84 154.67 31.6 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.738 0.815 . . . . 0.0 110.651 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -56.58 -44.39 81.01 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 124.034 0.934 . . . . 0.0 113.298 -179.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -60.53 -39.96 89.77 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 123.773 0.829 . . . . 0.0 111.327 -178.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -69.58 -49.1 57.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 122.131 0.967 . . . . 0.0 108.982 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 83.1 t -59.87 -46.99 93.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 C-N-CA 123.856 0.862 . . . . 0.0 111.593 -178.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.1 ttpt -57.95 -36.5 72.63 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 119.134 -0.46 . . . . 0.0 109.931 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.3 tpt180 -70.09 -50.09 44.3 Favored 'General case' 0 C--N 1.339 0.146 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 179.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.27 -45.02 76.14 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 123.89 0.876 . . . . 0.0 111.573 -179.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.13 -31.82 73.2 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 117.364 -1.303 . . . . 0.0 111.176 179.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -66.23 -50.72 62.83 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 120.799 1.636 . . . . 0.0 108.614 179.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 76.4 mt -57.99 -49.69 80.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 C-N-CA 125.049 1.34 . . . . 0.0 108.426 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.405 ' HB2' HD12 ' A' ' 43' ' ' ILE . . . -65.3 12.43 0.05 OUTLIER 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 127.173 2.189 . . . . 0.0 115.556 -179.502 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 53.09 39.64 29.89 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 121.077 1.762 . . . . 0.0 108.648 -177.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.0 m120 52.32 40.57 29.49 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 127.984 2.514 . . . . 0.0 111.488 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 42.1 t-20 -110.38 120.97 44.15 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 124.286 1.035 . . . . 0.0 110.224 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.8 t -58.5 -48.28 85.85 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 125.353 1.461 . . . . 0.0 110.878 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -48.2 -53.7 16.05 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 126.12 1.768 . . . . 0.0 111.5 -178.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.535 HG11 HG11 ' B' ' 39' ' ' VAL . 23.4 t -72.65 -44.9 59.44 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 C-N-CA 125.948 1.699 . . . . 0.0 111.477 -178.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.79 -32.7 60.52 Favored 'General case' 0 C--N 1.34 0.188 0 O-C-N 121.593 -0.692 . . . . 0.0 111.862 -179.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -55.72 -49.66 72.44 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.659 0.783 . . . . 0.0 110.083 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.2 m -71.05 -34.37 71.17 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 118.372 -0.823 . . . . 0.0 111.278 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.405 HD12 ' HB2' ' A' ' 33' ' ' ALA . 54.2 mt -59.61 -53.74 44.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-N 119.327 0.967 . . . . 0.0 108.459 179.163 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.3 mt -60.96 -29.96 69.96 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 122.791 0.436 . . . . 0.0 111.503 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -30.74 71.77 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 122.592 0.357 . . . . 0.0 111.012 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -91.63 -38.36 12.5 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 118.761 -0.638 . . . . 0.0 109.563 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 . . . . . 0 C--N 1.342 0.257 0 CA-C-N 119.12 0.873 . . . . 0.0 109.437 179.123 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 44.9 t . . . . . 0 CA--C 1.53 0.19 0 CA-C-O 119.511 -0.281 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -58.32 -42.43 86.73 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 118.722 0.692 . . . . 0.0 110.175 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.26 -37.42 85.42 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 122.072 -0.392 . . . . 0.0 110.538 178.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -62.6 -37.31 85.74 Favored 'General case' 0 C--N 1.341 0.202 0 C-N-CA 123.475 0.71 . . . . 0.0 110.111 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 65.3 mt -60.92 -59.87 3.57 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 N-CA-C 106.657 -1.609 . . . . 0.0 106.657 179.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.88 -38.13 64.44 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 50.1 tttp -54.27 -56.76 15.25 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 123.927 0.891 . . . . 0.0 108.758 179.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -67.5 -36.99 82.16 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-O 118.514 -0.755 . . . . 0.0 112.161 179.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 96.4 mtp -58.4 -36.93 74.32 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 119.624 1.102 . . . . 0.0 109.672 179.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.48 -23.38 60.34 Favored Glycine 0 CA--C 1.529 0.912 0 CA-C-O 118.849 -0.973 . . . . 0.0 111.892 179.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -63.43 -33.03 74.65 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 119.68 1.74 . . . . 0.0 107.911 178.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 130.79 1.74 4.96 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 126.393 1.949 . . . . 0.0 114.01 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -79.12 155.69 28.61 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 118.961 1.38 . . . . 0.0 111.654 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.12 158.14 32.08 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.72 0.808 . . . . 0.0 109.67 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -55.74 -44.57 77.7 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 -178.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -64.79 -32.49 74.2 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -177.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -67.4 -49.76 62.45 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 123.904 0.881 . . . . 0.0 109.995 -179.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 57.6 t -63.12 -50.38 79.54 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 C-N-CA 125.411 1.484 . . . . 0.0 113.647 -178.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -57.66 -38.28 74.81 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 119.488 -0.885 . . . . 0.0 110.014 -179.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -71.51 -39.16 70.98 Favored 'General case' 0 CA--C 1.528 0.097 0 O-C-N 124.379 1.049 . . . . 0.0 109.661 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.47 -47.79 84.06 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 118.482 0.583 . . . . 0.0 110.072 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.02 -31.37 72.22 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-O 118.042 -0.98 . . . . 0.0 109.943 179.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -64.62 -57.03 10.21 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 119.95 1.25 . . . . 0.0 108.62 178.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 84.6 mt -58.67 -45.33 90.88 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 124.018 0.927 . . . . 0.0 109.869 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.08 3.59 2.01 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.929 1.692 . . . . 0.0 114.695 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 56.54 48.03 17.45 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 123.068 1.413 . . . . 0.0 109.451 -178.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 15.7 m120 61.08 17.27 7.87 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 129.091 2.956 . . . . 0.0 113.394 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 60.7 t-20 -88.0 119.62 28.55 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 120.042 1.292 . . . . 0.0 110.759 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 3.0 t -60.33 -41.21 86.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 C-N-CA 125.391 1.476 . . . . 0.0 112.111 179.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -70.43 -42.92 70.92 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 123.734 0.814 . . . . 0.0 112.115 -176.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.535 HG11 HG11 ' A' ' 39' ' ' VAL . 73.4 t -68.8 -40.52 81.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 177.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.86 -37.41 71.26 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 118.448 0.567 . . . . 0.0 109.493 178.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.36 -44.73 76.28 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.034 0.834 . . . . 0.0 109.663 178.54 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 9.4 m -73.51 -33.15 64.63 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.455 1.102 . . . . 0.0 112.02 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 62.6 mt -66.92 -49.76 70.97 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 179.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 11.9 mt -57.63 -31.82 66.63 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 123.644 0.777 . . . . 0.0 110.491 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.4 -17.73 63.69 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 124.625 1.17 . . . . 0.0 113.204 178.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -98.95 -45.76 5.85 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 119.693 1.133 . . . . 0.0 111.654 179.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -63.71 -53.26 54.01 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 118.96 0.8 . . . . 0.0 109.266 179.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 24.7 t . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.77 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.3 p . . . . . 0 CA--C 1.543 0.71 0 N-CA-C 105.677 -1.972 . . . . 0.0 105.677 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.38 -50.43 40.21 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 129.87 3.268 . . . . 0.0 110.11 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.96 -20.44 57.62 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 125.484 1.514 . . . . 0.0 112.988 -179.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.3 mttp -93.59 -38.96 11.09 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 124.684 1.194 . . . . 0.0 108.117 178.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 73.5 mt -59.19 -54.47 33.84 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 179.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.44 -34.08 64.16 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.1 tptt -65.53 -56.31 13.02 Favored 'General case' 0 C--N 1.339 0.144 0 C-N-CA 124.438 1.095 . . . . 0.0 108.993 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.66 -38.52 90.64 Favored 'General case' 0 C--N 1.34 0.183 0 CA-C-O 118.267 -0.873 . . . . 0.0 112.234 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 86.7 mtp -57.06 -29.15 63.19 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.676 1.125 . . . . 0.0 110.194 179.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.01 -8.77 69.94 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 121.06 -1.025 . . . . 0.0 113.2 179.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -90.37 -8.21 51.28 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 119.57 1.685 . . . . 0.0 112.7 -179.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.61 48.66 0.84 Allowed Glycine 0 C--N 1.338 0.671 0 C-N-CA 124.4 1.0 . . . . 0.0 112.387 179.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -139.9 149.27 43.16 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 123.934 0.894 . . . . 0.0 109.804 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.09 159.66 26.03 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 123.5 0.72 . . . . 0.0 111.675 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -56.62 -45.11 81.67 Favored 'General case' 0 CA--C 1.53 0.188 0 O-C-N 121.903 -0.498 . . . . 0.0 111.333 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -62.45 -30.58 71.34 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.113 0.565 . . . . 0.0 112.325 -178.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -79.17 -49.67 12.19 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 124.652 1.181 . . . . 0.0 109.201 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 91.6 t -62.55 -50.24 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 C-N-CA 124.237 1.015 . . . . 0.0 110.73 -179.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -57.52 -38.05 74.04 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.4 tpt180 -65.3 -48.87 71.61 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.07 -48.62 80.92 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 122.935 0.494 . . . . 0.0 110.605 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -56.17 -46.86 79.16 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 117.58 -1.2 . . . . 0.0 110.584 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -55.67 -56.99 13.93 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.213 1.005 . . . . 0.0 109.396 179.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 94.4 mt -55.74 -46.64 79.76 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 124.344 1.057 . . . . 0.0 109.439 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.45 3.27 2.42 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.845 2.058 . . . . 0.0 114.361 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 53.94 47.09 24.25 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 122.684 1.23 . . . . 0.0 108.576 -177.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 47.23 62.12 2.56 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 129.821 3.248 . . . . 0.0 113.428 179.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 57.7 t-20 -133.06 120.63 21.56 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.178 0.991 . . . . 0.0 109.927 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.5 t -61.21 -42.69 94.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 125.213 1.405 . . . . 0.0 112.214 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -65.85 -19.72 65.98 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 124.301 1.04 . . . . 0.0 112.688 -177.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.675 HG11 HG11 ' B' ' 39' ' ' VAL . 45.6 t -99.86 -43.83 11.29 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 C-N-CA 125.118 1.367 . . . . 0.0 109.771 179.324 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.37 -31.33 69.12 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -54.51 -52.61 61.42 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.234 0.925 . . . . 0.0 111.129 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.2 m -61.44 -34.5 75.52 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 118.321 -0.847 . . . . 0.0 112.087 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 61.6 mt -62.31 -51.83 67.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-N 119.74 1.155 . . . . 0.0 108.445 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 21.4 mt -61.98 -32.83 73.32 Favored 'General case' 0 C--O 1.225 -0.221 0 C-N-CA 123.042 0.537 . . . . 0.0 110.78 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.7 mmt85 -65.6 -40.27 92.46 Favored 'General case' 0 C--O 1.226 -0.169 0 CA-C-N 118.506 0.594 . . . . 0.0 110.209 178.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -69.04 -51.66 36.69 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.285 0.493 . . . . 0.0 109.989 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 . . . . . 0 N--CA 1.465 0.325 0 CA-C-N 118.478 0.581 . . . . 0.0 111.711 -179.493 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 4.5 p . . . . . 0 CA--C 1.538 0.511 0 CA-C-O 122.09 0.948 . . . . 0.0 108.457 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -54.32 -45.61 72.67 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 128.865 2.866 . . . . 0.0 110.76 -179.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.1 -36.61 68.35 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 125.128 1.371 . . . . 0.0 111.666 179.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 49.4 mttp -73.31 -42.61 62.17 Favored 'General case' 0 CA--C 1.518 -0.277 0 C-N-CA 124.47 1.108 . . . . 0.0 109.69 -179.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 87.2 mt -58.28 -52.98 52.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 179.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.21 -27.74 67.43 Favored 'General case' 0 CA--C 1.532 0.272 0 O-C-N 121.511 -0.743 . . . . 0.0 112.529 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 4.4 tptt -65.14 -66.33 0.56 Allowed 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 118.6 0.636 . . . . 0.0 110.048 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -60.63 -34.68 74.62 Favored 'General case' 0 C--O 1.224 -0.239 0 CA-C-O 118.114 -0.946 . . . . 0.0 111.466 -179.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 84.8 mtp -57.68 -28.21 63.58 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 119.856 1.207 . . . . 0.0 110.906 179.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -77.83 -20.17 74.07 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 121.249 -0.907 . . . . 0.0 112.637 179.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -78.9 -0.46 30.9 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.503 1.521 . . . . 0.0 112.542 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.28 46.16 2.06 Favored Glycine 0 C--N 1.338 0.656 0 CA-C-O 118.621 -1.099 . . . . 0.0 113.73 179.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -140.31 149.13 42.39 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 117.974 0.887 . . . . 0.0 109.71 178.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.82 162.03 26.37 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 123.66 0.784 . . . . 0.0 111.694 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -54.82 -46.26 74.55 Favored 'General case' 0 N--CA 1.461 0.108 0 C-N-CA 124.095 0.958 . . . . 0.0 112.199 -179.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -57.01 -51.42 69.34 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 122.987 0.515 . . . . 0.0 111.163 -179.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -56.92 -50.78 71.52 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 125.663 1.585 . . . . 0.0 110.788 -179.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 72.8 t -62.08 -56.76 15.58 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 C-N-CA 124.334 1.054 . . . . 0.0 110.903 -178.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 23.2 ttpt -57.22 -36.19 70.58 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 118.152 0.433 . . . . 0.0 110.238 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -64.03 -51.18 65.41 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.28 -44.05 95.68 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 123.439 0.696 . . . . 0.0 112.27 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -65.82 -34.72 78.8 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 119.792 1.178 . . . . 0.0 111.032 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -62.0 -44.08 97.49 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 119.54 1.064 . . . . 0.0 108.963 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 79.4 mt -67.74 -48.54 75.53 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 C-N-CA 125.347 1.459 . . . . 0.0 108.455 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.86 14.76 0.1 Allowed 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 129.107 2.963 . . . . 0.0 115.842 -179.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . 0.457 ' HG3' HG22 ' A' ' 39' ' ' VAL . 5.6 mm100 53.0 37.48 24.78 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 120.629 1.559 . . . . 0.0 111.257 -178.575 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 54.95 54.28 9.22 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 126.469 1.908 . . . . 0.0 110.464 -179.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 42.1 t-20 -130.8 115.78 17.07 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 124.354 1.062 . . . . 0.0 109.557 179.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 48.7 t -57.25 -41.64 78.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 C-N-CA 125.588 1.555 . . . . 0.0 110.884 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -57.29 -28.56 63.13 Favored 'General case' 0 C--N 1.334 -0.09 0 C-N-CA 125.293 1.437 . . . . 0.0 112.45 -178.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.675 HG11 HG11 ' A' ' 39' ' ' VAL . 97.6 t -99.4 -43.81 11.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 C-N-CA 123.728 0.811 . . . . 0.0 110.68 -178.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.57 -32.48 51.01 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 118.602 0.637 . . . . 0.0 110.81 179.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -56.05 -41.91 75.76 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.186 1.395 . . . . 0.0 110.667 178.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 8.4 m -77.58 -33.14 54.01 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.974 0.91 . . . . 0.0 110.927 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 67.3 mt -65.6 -49.07 80.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 31.9 mt -59.15 -31.27 68.82 Favored 'General case' 0 C--O 1.224 -0.275 0 C-N-CA 123.332 0.653 . . . . 0.0 110.462 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.8 -25.33 66.41 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 118.42 0.555 . . . . 0.0 111.745 179.001 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -80.6 -57.79 3.41 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -63.06 -49.39 74.7 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 123.928 0.891 . . . . 0.0 112.554 -178.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 N--CA 1.449 -0.52 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 179.338 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.7 t . . . . . 0 CA--C 1.529 0.154 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.83 -34.65 71.78 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 120.977 -1.077 . . . . 0.0 111.221 -179.728 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.8 -16.69 59.21 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.822 0.849 . . . . 0.0 112.017 179.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 45.1 mttp -93.78 -34.78 13.06 Favored 'General case' 0 CA--C 1.517 -0.294 0 C-N-CA 124.864 1.266 . . . . 0.0 109.966 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.5 mt -58.8 -56.07 19.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.13 0 N-CA-C 107.019 -1.474 . . . . 0.0 107.019 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.91 -27.02 64.86 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 118.01 0.368 . . . . 0.0 111.93 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.0 tptt -67.03 -62.2 1.55 Allowed 'General case' 0 C--N 1.34 0.164 0 C-N-CA 124.028 0.931 . . . . 0.0 109.318 179.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.56 -35.44 76.06 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 118.411 0.55 . . . . 0.0 109.946 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 71.1 mmm -60.69 -24.94 66.01 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.508 -0.745 . . . . 0.0 110.191 178.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.8 -12.61 84.38 Favored Glycine 0 CA--C 1.525 0.694 0 C-N-CA 125.268 1.414 . . . . 0.0 111.855 179.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -80.42 -51.69 8.53 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 106.109 -1.811 . . . . 0.0 106.109 178.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 134.12 64.9 0.07 OUTLIER Glycine 0 C--N 1.336 0.546 0 C-N-CA 124.316 0.96 . . . . 0.0 111.489 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -135.51 152.05 50.95 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 125.828 1.651 . . . . 0.0 107.389 178.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.47 149.83 36.74 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 119.017 0.826 . . . . 0.0 109.523 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -49.85 -42.18 46.89 Favored 'General case' 0 CA--C 1.518 -0.259 0 C-N-CA 126.219 1.807 . . . . 0.0 113.8 -178.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -64.83 -41.45 95.73 Favored 'General case' 0 N--CA 1.449 -0.506 0 O-C-N 123.183 0.302 . . . . 0.0 111.21 -178.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -66.31 -46.77 75.8 Favored 'General case' 0 CA--C 1.517 -0.29 0 C-N-CA 126.187 1.795 . . . . 0.0 108.424 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.1 t -58.74 -57.06 12.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 123.921 0.889 . . . . 0.0 110.021 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.6 mtpt -58.21 -35.42 71.63 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 118.883 -0.579 . . . . 0.0 111.111 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -68.04 -53.22 27.38 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 -179.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.63 -44.12 76.83 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 123.899 0.879 . . . . 0.0 110.498 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.46 -39.97 92.81 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 116.774 -1.584 . . . . 0.0 110.163 179.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -64.58 -52.25 58.58 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 120.869 1.668 . . . . 0.0 109.544 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 94.5 mt -53.74 -46.38 62.34 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 124.26 1.024 . . . . 0.0 108.33 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.97 9.55 0.53 Allowed 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 126.765 2.026 . . . . 0.0 114.34 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 56.28 31.76 19.12 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 120.605 1.548 . . . . 0.0 110.605 -178.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 12.5 m120 65.18 28.62 12.1 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 130.126 3.37 . . . . 0.0 112.105 -178.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 56.2 t-20 -98.27 121.81 40.66 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 120.64 -1.287 . . . . 0.0 109.582 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 24.9 t -61.4 -46.09 97.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 CA-C-N 119.014 0.824 . . . . 0.0 110.525 179.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -59.93 -30.8 69.3 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 113.113 0.783 . . . . 0.0 113.113 -178.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.901 HG11 HG11 ' B' ' 39' ' ' VAL . 25.8 t -87.7 -39.18 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.67 -31.53 70.77 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 123.613 0.765 . . . . 0.0 110.93 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 48.3 mtt180 -54.79 -54.65 39.36 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 124.002 0.921 . . . . 0.0 108.624 178.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.5 m -58.14 -40.92 82.53 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.629 0.772 . . . . 0.0 112.25 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 72.8 mt -61.4 -49.5 84.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 C-N-CA 123.516 0.726 . . . . 0.0 109.52 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 24.4 mt -61.42 -29.28 69.84 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 117.764 -1.112 . . . . 0.0 111.163 -179.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 67.4 mtt180 -67.35 -32.54 73.56 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 120.112 1.324 . . . . 0.0 110.589 178.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -75.22 -44.49 45.98 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 119.267 -0.397 . . . . 0.0 110.396 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 . . . . . 0 N--CA 1.463 0.215 0 CA-C-N 118.467 0.576 . . . . 0.0 111.417 -179.787 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 19.5 t . . . . . 0 N--CA 1.463 0.198 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.93 -46.64 89.89 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 121.344 -0.847 . . . . 0.0 109.924 -179.39 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.47 -14.19 55.76 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.826 -0.546 . . . . 0.0 111.682 178.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 54.2 mttp -87.75 -46.48 9.44 Favored 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 106.703 -1.591 . . . . 0.0 106.703 178.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 67.8 mt -57.48 -52.41 57.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 N-CA-C 106.595 -1.632 . . . . 0.0 106.595 178.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.45 -12.77 16.04 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 25.6 tptt -79.73 -62.72 1.6 Allowed 'General case' 0 C--O 1.233 0.196 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 178.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -58.39 -33.56 69.76 Favored 'General case' 0 C--O 1.224 -0.268 0 C-N-CA 123.715 0.806 . . . . 0.0 110.446 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 63.0 mmm -56.2 -23.26 34.36 Favored 'General case' 0 CA--C 1.535 0.365 0 CA-C-N 118.568 0.622 . . . . 0.0 111.94 178.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -84.12 -20.76 58.53 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 121.005 -1.059 . . . . 0.0 112.253 178.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -78.89 -2.74 41.3 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 125.524 1.53 . . . . 0.0 113.962 -178.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.5 42.31 3.2 Favored Glycine 0 CA--C 1.53 0.987 0 CA-C-O 119.28 -0.733 . . . . 0.0 113.232 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -126.99 153.93 45.26 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 118.202 1.001 . . . . 0.0 109.516 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.34 148.82 30.5 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.032 0.933 . . . . 0.0 111.946 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -54.27 -42.44 69.99 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 123.729 0.811 . . . . 0.0 111.261 -179.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -55.75 -56.57 18.89 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.33 1.052 . . . . 0.0 109.28 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -59.56 -47.1 86.85 Favored 'General case' 0 CA--C 1.517 -0.301 0 C-N-CA 126.317 1.847 . . . . 0.0 111.159 -179.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 69.9 t -59.99 -53.39 49.27 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 C-N-CA 123.293 0.637 . . . . 0.0 110.024 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 4.4 mtpt -58.51 -39.09 79.12 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 179.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -63.12 -54.54 36.15 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.81 -45.34 70.76 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 125.646 1.578 . . . . 0.0 111.391 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.0 -41.57 96.77 Favored 'General case' 0 C--N 1.34 0.172 0 CA-C-N 120.016 1.28 . . . . 0.0 111.502 -179.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -60.49 -45.53 93.42 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 119.151 0.887 . . . . 0.0 111.124 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 54.5 mt -65.16 -49.31 79.87 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 C-N-CA 126.055 1.742 . . . . 0.0 107.891 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.456 ' HA ' HG13 ' A' ' 39' ' ' VAL . . . -66.17 13.18 0.05 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 129.244 3.018 . . . . 0.0 115.162 -179.533 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . 0.423 ' HG3' HG22 ' A' ' 39' ' ' VAL . 2.7 mm100 55.65 33.14 20.66 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 120.653 1.569 . . . . 0.0 110.114 -178.272 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 3.7 m120 59.16 48.68 10.16 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 128.166 2.587 . . . . 0.0 109.798 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 -126.21 118.87 26.07 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 124.57 1.148 . . . . 0.0 111.377 -179.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.47 -41.78 88.84 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.143 0 C-N-CA 124.607 1.163 . . . . 0.0 110.087 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -58.98 -24.5 62.73 Favored 'General case' 0 C--O 1.231 0.105 0 C-N-CA 123.522 0.729 . . . . 0.0 112.774 -178.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.901 HG11 HG11 ' A' ' 39' ' ' VAL . 25.9 t -99.85 -39.83 7.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.251 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.411 ' HA ' HD12 ' B' ' 43' ' ' ILE . . . -54.53 -33.03 59.29 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.163 0.585 . . . . 0.0 111.051 179.457 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 52.4 mtt180 -56.01 -51.95 65.95 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 178.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.6 m -59.55 -35.77 74.86 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.702 1.201 . . . . 0.0 113.708 -179.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.411 HD12 ' HA ' ' B' ' 40' ' ' ALA . 75.3 mt -65.68 -55.68 18.6 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 C-N-CA 124.641 1.176 . . . . 0.0 108.749 -179.551 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 42.6 mt -57.41 -30.25 64.8 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 124.38 1.072 . . . . 0.0 112.261 -178.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -64.72 -32.76 74.58 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 119.054 0.843 . . . . 0.0 110.943 178.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -83.08 -48.99 10.0 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-O 118.992 -0.528 . . . . 0.0 110.648 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -63.95 -51.91 62.2 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 118.417 0.553 . . . . 0.0 111.685 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.537 0.463 0 C-N-CA 124.548 1.139 . . . . 0.0 108.545 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 64.5 t . . . . . 0 N--CA 1.463 0.194 0 CA-C-O 119.034 -0.508 . . . . 0.0 110.563 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -60.74 -37.76 82.85 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 119.996 1.271 . . . . 0.0 111.785 -179.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.89 -12.51 25.56 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.475 0.71 . . . . 0.0 112.235 178.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.4 mttt -95.19 -44.72 7.5 Favored 'General case' 0 C--O 1.222 -0.342 0 C-N-CA 126.357 1.863 . . . . 0.0 107.668 178.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.8 mt -58.18 -54.15 36.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 178.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.75 -27.91 63.46 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 122.472 0.309 . . . . 0.0 111.585 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.7 tptp -67.38 -63.63 1.02 Allowed 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.359 1.064 . . . . 0.0 108.654 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.99 -36.99 78.38 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-O 118.28 -0.866 . . . . 0.0 110.808 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 78.4 mtp -58.4 -27.19 64.05 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 120.059 1.3 . . . . 0.0 110.406 178.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.93 -15.44 79.7 Favored Glycine 0 CA--C 1.526 0.77 0 O-C-N 121.222 -0.924 . . . . 0.0 111.7 178.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -82.96 -0.92 50.87 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 119.427 1.614 . . . . 0.0 112.166 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.08 60.84 0.95 Allowed Glycine 0 C--N 1.338 0.653 0 C-N-CA 125.65 1.595 . . . . 0.0 112.807 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -146.42 149.83 34.46 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 117.751 0.775 . . . . 0.0 110.482 179.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.35 157.09 30.84 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 123.854 0.862 . . . . 0.0 108.925 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -57.8 -41.84 82.97 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 121.493 -0.754 . . . . 0.0 113.018 -178.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -58.92 -45.81 89.45 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 119.044 0.838 . . . . 0.0 111.944 -178.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -64.88 -49.28 71.1 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 125.344 1.458 . . . . 0.0 109.94 -179.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.8 t -59.32 -47.65 89.76 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.226 0 C-N-CA 123.98 0.912 . . . . 0.0 110.426 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.2 tttt -60.24 -39.3 86.23 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 118.741 -0.647 . . . . 0.0 109.908 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -61.8 -54.06 47.39 Favored 'General case' 0 C--N 1.342 0.274 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 -179.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.83 -46.75 84.28 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 123.335 0.654 . . . . 0.0 112.201 -179.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -60.99 -45.83 93.2 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.967 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -56.61 -51.98 66.61 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.796 0.838 . . . . 0.0 109.872 179.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 69.6 mt -57.67 -45.89 86.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.412 ' HA ' HG13 ' B' ' 39' ' ' VAL . . . -72.32 10.65 0.74 Allowed 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 55.19 37.56 29.08 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 121.903 2.138 . . . . 0.0 108.498 -177.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 54.33 48.78 19.96 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 127.711 2.404 . . . . 0.0 110.322 -178.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.495 HD22 HG23 ' A' ' 39' ' ' VAL . 54.8 t30 -115.7 103.91 11.16 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 124.484 1.113 . . . . 0.0 109.894 -179.457 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 24.9 t -48.28 -48.02 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 125.801 1.64 . . . . 0.0 112.157 -179.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -56.35 -28.44 59.07 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.409 1.084 . . . . 0.0 113.281 -179.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.683 HG11 HG11 ' B' ' 39' ' ' VAL . 94.9 t -99.36 -38.53 6.94 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-N 118.628 0.649 . . . . 0.0 110.024 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.62 -35.29 65.71 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 123.533 0.733 . . . . 0.0 110.888 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -59.66 -48.39 81.85 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.7 m -64.06 -34.64 78.48 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 123.307 0.643 . . . . 0.0 110.958 179.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 88.9 mt -64.71 -53.81 37.63 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 179.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 29.7 mt -58.82 -29.69 67.08 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 123.186 0.594 . . . . 0.0 110.196 179.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -65.19 -40.46 94.27 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 117.747 -1.12 . . . . 0.0 110.831 178.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -70.22 -46.47 64.44 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 119.609 1.095 . . . . 0.0 109.924 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 . . . . . 0 CA--C 1.538 0.508 0 C-N-CA 122.431 0.293 . . . . 0.0 110.4 -179.851 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 42.1 t . . . . . 0 CA--C 1.527 0.088 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -53.3 -39.71 64.21 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 119.274 0.943 . . . . 0.0 112.085 -178.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.09 -34.2 77.5 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.434 0.694 . . . . 0.0 111.408 178.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 51.7 mttp -69.99 -40.67 75.16 Favored 'General case' 0 CA--C 1.521 -0.141 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 69.4 mt -60.04 -49.31 84.52 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.128 0 N-CA-C 106.492 -1.67 . . . . 0.0 106.492 178.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.74 -41.93 78.36 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 118.085 0.402 . . . . 0.0 110.481 179.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 9.8 tptp -55.9 -51.27 68.19 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 123.217 0.607 . . . . 0.0 110.341 179.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -69.58 -45.75 67.94 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 117.92 -1.038 . . . . 0.0 111.325 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 87.4 mtp -53.4 -38.6 63.58 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 119.758 1.163 . . . . 0.0 110.102 179.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.58 -16.89 38.87 Favored Glycine 0 CA--C 1.529 0.927 0 CA-C-O 118.157 -1.357 . . . . 0.0 113.219 179.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -89.74 -9.33 49.77 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 120.19 1.995 . . . . 0.0 110.166 178.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.78 66.58 0.81 Allowed Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 124.68 1.134 . . . . 0.0 113.512 178.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -143.03 152.11 41.55 Favored 'General case' 0 C--O 1.24 0.574 0 N-CA-C 107.104 -1.443 . . . . 0.0 107.104 177.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.6 149.31 38.3 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 123.313 0.645 . . . . 0.0 110.478 -179.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -54.83 -41.93 71.28 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.05 0.54 . . . . 0.0 112.113 -179.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -62.65 -41.0 98.79 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 118.313 0.506 . . . . 0.0 111.895 -178.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -67.45 -49.24 64.53 Favored 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 125.984 1.714 . . . . 0.0 109.337 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 84.8 t -59.69 -50.88 78.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 114.224 -1.353 . . . . 0.0 109.913 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 65.0 tttt -56.08 -40.46 73.66 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 25.4 tpt180 -65.97 -48.52 71.01 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.77 -48.6 77.5 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.347 1.059 . . . . 0.0 111.648 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.55 -37.51 87.8 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-O 118.421 -0.799 . . . . 0.0 110.169 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -60.26 -49.63 76.83 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 124.011 0.924 . . . . 0.0 109.573 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 64.8 mt -61.69 -49.17 85.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 179.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.29 4.91 1.11 Allowed 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 126.308 1.843 . . . . 0.0 114.791 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 51.59 43.08 30.0 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 120.577 1.535 . . . . 0.0 109.807 -178.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 57.68 52.03 8.71 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 128.966 2.906 . . . . 0.0 111.179 -179.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -116.63 114.28 23.87 Favored 'General case' 0 CA--C 1.527 0.092 0 N-CA-C 107.332 -1.358 . . . . 0.0 107.332 178.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 40.7 t -59.42 -43.64 90.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 C-N-CA 124.958 1.303 . . . . 0.0 112.926 -178.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -61.43 -55.36 32.21 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 123.737 0.815 . . . . 0.0 110.543 -178.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.683 HG11 HG11 ' A' ' 39' ' ' VAL . 58.5 t -62.25 -42.07 93.91 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 C-N-CA 123.358 0.663 . . . . 0.0 109.287 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.22 -35.82 70.14 Favored 'General case' 0 C--N 1.343 0.3 0 CA-C-N 118.935 0.788 . . . . 0.0 110.138 179.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -58.35 -55.96 28.22 Favored 'General case' 0 C--N 1.342 0.252 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 178.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 20.3 m -60.92 -35.47 76.77 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.059 0.943 . . . . 0.0 111.464 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 62.0 mt -63.38 -55.43 23.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-N 119.692 1.133 . . . . 0.0 108.312 179.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 20.4 mt -59.99 -26.52 66.11 Favored 'General case' 0 C--O 1.226 -0.179 0 C-N-CA 122.943 0.497 . . . . 0.0 110.184 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -34.57 77.85 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 117.924 -1.036 . . . . 0.0 111.741 179.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -82.98 -46.84 12.41 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 123.757 0.823 . . . . 0.0 110.32 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -63.6 -36.55 84.17 Favored 'General case' 0 C--N 1.341 0.205 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 -179.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 3.0 t . . . . . 0 N--CA 1.444 -0.734 0 C-N-CA 125.72 1.608 . . . . 0.0 107.274 -179.118 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 62.6 t . . . . . 0 N--CA 1.463 0.175 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -57.32 -47.82 80.56 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 123.638 0.775 . . . . 0.0 111.261 -179.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.08 -9.8 18.48 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 179.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 53.3 mttt -91.05 -33.07 15.65 Favored 'General case' 0 C--O 1.227 -0.108 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 178.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.4 mt -59.88 -57.73 10.39 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 177.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.94 -17.3 36.71 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.126 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -74.75 -65.01 0.92 Allowed 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 178.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -59.15 -37.09 76.44 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 118.066 -0.969 . . . . 0.0 112.677 -178.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 91.6 mtp -55.59 -35.71 66.09 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.558 1.072 . . . . 0.0 110.392 179.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.32 -12.55 66.3 Favored Glycine 0 C--N 1.341 0.829 0 C-N-CA 123.831 0.729 . . . . 0.0 113.127 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -86.97 0.53 54.99 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.073 1.437 . . . . 0.0 110.222 178.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.6 53.84 1.9 Allowed Glycine 0 C--N 1.337 0.59 0 C-N-CA 125.887 1.708 . . . . 0.0 113.996 178.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -136.57 158.86 43.45 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 124.273 1.029 . . . . 0.0 109.756 178.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.44 150.49 23.12 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 122.825 0.45 . . . . 0.0 110.101 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -51.74 -43.43 62.9 Favored 'General case' 0 CA--C 1.521 -0.159 0 C-N-CA 124.919 1.287 . . . . 0.0 113.518 -178.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -61.02 -41.34 96.36 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 118.239 0.472 . . . . 0.0 111.62 -177.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -70.79 -38.9 73.41 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 124.357 1.063 . . . . 0.0 109.483 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 79.8 t -64.02 -43.86 97.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 O-C-N 121.118 -0.989 . . . . 0.0 109.13 179.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -61.45 -32.32 72.29 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.455 -0.778 . . . . 0.0 110.063 179.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.3 tpt180 -71.82 -50.2 31.82 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.358 1.063 . . . . 0.0 108.834 178.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.06 -49.11 78.04 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 124.911 1.284 . . . . 0.0 113.158 -178.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.06 -34.28 77.73 Favored 'General case' 0 C--N 1.34 0.184 0 CA-C-O 117.844 -1.074 . . . . 0.0 111.882 -178.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -58.71 -53.17 61.37 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 119.431 1.014 . . . . 0.0 108.91 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 65.1 mt -59.44 -48.03 88.61 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.448 ' HA ' HG13 ' B' ' 39' ' ' VAL . . . -69.44 10.18 0.37 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.531 1.933 . . . . 0.0 116.006 -179.315 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 52.1 42.8 30.74 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 121.546 1.976 . . . . 0.0 110.092 -178.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 51.47 44.37 29.05 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 126.434 1.894 . . . . 0.0 111.441 -178.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -115.6 114.3 24.73 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 178.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 27.8 t -55.27 -45.47 77.69 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 C-N-CA 124.424 1.09 . . . . 0.0 110.424 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -52.39 -37.79 57.35 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.918 1.287 . . . . 0.0 112.818 -178.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.775 HG11 HG11 ' B' ' 39' ' ' VAL . 98.3 t -90.43 -39.6 12.11 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.186 0 C-N-CA 123.216 0.607 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.35 -34.11 66.3 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 118.788 0.722 . . . . 0.0 110.194 179.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -56.89 -53.53 56.86 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 107.486 -1.302 . . . . 0.0 107.486 178.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.6 m -59.23 -48.03 83.13 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 124.304 1.042 . . . . 0.0 110.824 179.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 56.1 mt -53.83 -46.61 63.56 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 C-N-CA 123.255 0.622 . . . . 0.0 110.699 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.6 mt -65.46 -20.12 66.22 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 118.574 -0.727 . . . . 0.0 111.951 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.7 mtp180 -67.0 -35.45 79.97 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 119.941 1.246 . . . . 0.0 108.109 178.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -82.6 -44.69 15.5 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 119.128 -0.463 . . . . 0.0 111.298 178.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 . . . . . 0 N--CA 1.469 0.504 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -179.078 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.9 t . . . . . 0 CA--C 1.532 0.258 0 CA-C-O 119.033 -0.508 . . . . 0.0 110.661 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -55.71 -34.36 65.04 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 119.632 1.105 . . . . 0.0 113.484 -178.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.82 -39.63 81.77 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 35.5 mttp -68.16 -44.5 75.85 Favored 'General case' 0 CA--C 1.518 -0.283 0 C-N-CA 124.763 1.225 . . . . 0.0 109.866 179.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 66.7 mt -55.44 -59.04 2.87 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.39 -32.05 56.28 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.67 -0.644 . . . . 0.0 112.686 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -58.11 -58.83 6.72 Favored 'General case' 0 C--N 1.341 0.22 0 C-N-CA 123.924 0.89 . . . . 0.0 109.059 179.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.506 HD21 HG13 ' B' ' 37' ' ' VAL . 4.1 mm? -67.15 -36.36 81.68 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-O 118.371 -0.824 . . . . 0.0 111.763 -179.609 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 95.6 mtp -55.56 -38.24 69.07 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 119.5 1.045 . . . . 0.0 110.448 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.17 -20.86 65.5 Favored Glycine 0 CA--C 1.525 0.713 0 CA-C-O 119.643 -0.532 . . . . 0.0 112.659 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -76.82 -5.0 46.48 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.732 1.266 . . . . 0.0 112.215 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.88 -3.69 25.8 Favored Glycine 0 C--N 1.335 0.509 0 CA-C-O 117.975 -1.458 . . . . 0.0 115.91 178.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -82.53 156.05 24.21 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 119.364 1.582 . . . . 0.0 111.36 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.28 158.38 24.8 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.842 0.857 . . . . 0.0 108.833 179.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -52.08 -48.12 64.85 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 125.312 1.445 . . . . 0.0 112.818 -178.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -61.18 -44.57 97.08 Favored 'General case' 0 CA--C 1.521 -0.144 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -178.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -59.52 -47.55 85.08 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 124.717 1.207 . . . . 0.0 109.496 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 97.4 t -64.37 -50.5 76.08 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.757 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 10.0 mtpt -58.14 -35.34 71.37 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 118.208 0.458 . . . . 0.0 111.415 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 24.3 tpt180 -65.67 -59.63 3.73 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.21 -42.1 76.68 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 124.414 1.086 . . . . 0.0 113.199 -178.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -63.21 -42.26 99.25 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 117.435 -1.269 . . . . 0.0 111.269 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -62.96 -49.52 74.39 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 120.407 1.458 . . . . 0.0 110.097 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 70.3 mt -55.82 -48.91 77.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.9 10.22 0.3 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.969 1.708 . . . . 0.0 114.907 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 55.57 38.4 30.15 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 120.982 1.719 . . . . 0.0 109.597 -178.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 54.28 49.39 18.66 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 128.574 2.749 . . . . 0.0 110.3 -178.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -116.75 118.21 31.91 Favored 'General case' 0 C--N 1.333 -0.131 0 C-N-CA 124.878 1.271 . . . . 0.0 107.722 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.506 HG13 HD21 ' B' ' 16' ' ' LEU . 65.5 t -65.25 -44.55 95.03 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-N 118.656 0.662 . . . . 0.0 112.477 -179.316 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -55.44 -42.86 74.81 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.238 0.615 . . . . 0.0 110.455 -178.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.775 HG11 HG11 ' A' ' 39' ' ' VAL . 88.7 t -76.41 -47.29 30.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 C-N-CA 123.48 0.712 . . . . 0.0 109.627 179.462 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.38 -32.15 64.5 Favored 'General case' 0 C--N 1.341 0.197 0 CA-C-N 118.793 0.724 . . . . 0.0 111.624 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -59.76 -50.41 73.92 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 178.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 69.5 m -63.05 -36.15 82.63 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.84 0.856 . . . . 0.0 110.739 179.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 58.3 mt -60.64 -54.91 28.68 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 N-CA-C 107.113 -1.44 . . . . 0.0 107.113 178.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 28.1 mt -60.99 -30.34 70.23 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 124.118 0.967 . . . . 0.0 111.507 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 53.2 mtp180 -68.15 -37.42 81.01 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 118.329 0.513 . . . . 0.0 110.021 179.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.96 -39.36 23.79 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 123.651 0.78 . . . . 0.0 110.476 178.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -69.36 -37.05 77.43 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.979 1.312 . . . . 0.0 113.456 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 N--CA 1.452 -0.353 0 C-N-CA 123.347 0.659 . . . . 0.0 109.394 -179.164 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.0 p . . . . . 0 CA--C 1.527 0.083 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -58.04 -35.92 71.99 Favored 'General case' 0 N--CA 1.466 0.364 0 O-C-N 121.727 -0.608 . . . . 0.0 111.27 -179.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.85 -40.62 95.44 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 121.369 0.604 . . . . 0.0 109.818 178.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.433 ' HB3' HD11 ' A' ' 30' ' ' LEU . 48.4 mttp -66.58 -42.54 86.85 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.485 0.714 . . . . 0.0 109.434 179.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 85.9 mt -59.05 -52.75 56.96 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.137 0 N-CA-C 107.133 -1.432 . . . . 0.0 107.133 179.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.8 -44.56 77.93 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 117.787 0.267 . . . . 0.0 110.571 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.7 tttp -56.46 -56.24 23.71 Favored 'General case' 0 C--N 1.34 0.165 0 C-N-CA 123.399 0.68 . . . . 0.0 110.305 179.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.59 -35.04 78.26 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 118.904 0.774 . . . . 0.0 111.931 179.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 84.3 mtp -60.83 -26.18 67.15 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 119.708 1.14 . . . . 0.0 108.168 177.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.12 -2.03 65.15 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 125.918 1.723 . . . . 0.0 112.009 178.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -97.75 2.75 49.89 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.226 1.513 . . . . 0.0 109.322 178.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.94 50.08 4.27 Favored Glycine 0 C--N 1.341 0.807 0 C-N-CA 124.838 1.208 . . . . 0.0 113.286 178.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -133.92 150.06 51.31 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-N 118.142 0.971 . . . . 0.0 108.95 179.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.23 151.69 44.06 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-O 121.226 0.536 . . . . 0.0 109.575 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -53.64 -42.81 68.2 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 123.016 0.526 . . . . 0.0 112.255 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -65.09 -24.86 67.56 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -178.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -83.83 -43.38 15.43 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.4 t -63.33 -54.25 35.37 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 C-N-CA 124.756 1.222 . . . . 0.0 111.041 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt -57.12 -37.94 72.72 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -61.6 -52.97 62.2 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.68 -44.13 90.16 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 123.767 0.827 . . . . 0.0 112.309 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.433 HD11 ' HB3' ' A' ' 12' ' ' LYS . 3.1 mm? -60.26 -46.4 89.95 Favored 'General case' 0 C--N 1.34 0.176 0 CA-C-O 118.497 -0.763 . . . . 0.0 111.063 -179.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -56.76 -53.34 58.88 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 124.046 0.938 . . . . 0.0 110.29 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.9 mt -57.13 -45.22 84.32 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 C-N-CA 123.885 0.874 . . . . 0.0 108.976 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.33 4.57 2.19 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 127.117 2.167 . . . . 0.0 115.035 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 56.88 41.13 28.35 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 120.371 1.441 . . . . 0.0 108.082 -177.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 54.01 58.8 4.71 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 128.953 2.901 . . . . 0.0 111.1 -178.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 36.2 t-20 -122.81 121.94 37.48 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 124.804 1.242 . . . . 0.0 108.533 179.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.7 t -62.86 -46.65 95.81 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.191 0 C-N-CA 123.617 0.767 . . . . 0.0 112.243 -179.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -60.86 -46.48 90.43 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 118.733 0.697 . . . . 0.0 111.042 -178.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.726 HG11 HG11 ' B' ' 39' ' ' VAL . 47.4 t -69.11 -41.66 81.55 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 179.479 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.32 -40.24 89.88 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-N 119.606 1.093 . . . . 0.0 110.577 179.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -59.22 -48.73 80.54 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 178.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.0 m -59.56 -39.6 84.59 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.259 1.024 . . . . 0.0 110.938 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 74.2 mt -64.6 -48.94 82.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-N 119.562 1.074 . . . . 0.0 108.42 178.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.9 mt -63.67 -28.08 69.66 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 121.811 -0.556 . . . . 0.0 110.059 179.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.2 mmt180 -70.42 -14.41 62.54 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 123.949 0.9 . . . . 0.0 110.722 178.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -100.15 -53.79 3.05 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 125.056 1.342 . . . . 0.0 108.073 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 . . . . . 0 C--N 1.344 0.336 0 CA-C-N 118.224 0.465 . . . . 0.0 112.227 -179.77 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 6.4 p . . . . . 0 CA--C 1.533 0.318 0 CA-C-O 120.816 0.341 . . . . 0.0 110.692 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -58.26 -52.47 65.43 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 126.056 1.742 . . . . 0.0 110.174 -178.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.21 -17.77 64.76 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 122.443 0.297 . . . . 0.0 111.382 178.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -81.74 -43.25 18.67 Favored 'General case' 0 CA--C 1.517 -0.303 0 O-C-N 120.778 -1.201 . . . . 0.0 108.123 178.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 75.7 mt -61.38 -50.32 80.9 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 N-CA-C 104.988 -2.226 . . . . 0.0 104.988 178.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.83 -34.96 65.86 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.355 0.662 . . . . 0.0 112.218 179.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 36.9 tttp -65.8 -56.42 12.02 Favored 'General case' 0 CA--C 1.519 -0.223 0 C-N-CA 123.543 0.737 . . . . 0.0 110.757 179.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -62.95 -36.39 83.3 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 118.933 0.788 . . . . 0.0 110.393 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 89.6 mtp -62.66 -24.92 67.87 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.781 0.718 . . . . 0.0 109.512 177.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.42 -24.82 75.96 Favored Glycine 0 CA--C 1.525 0.668 0 C-N-CA 124.994 1.283 . . . . 0.0 111.195 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -68.81 -55.59 10.72 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 106.15 -1.796 . . . . 0.0 106.15 178.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 158.26 -5.82 0.15 Allowed Glycine 0 CA--C 1.524 0.624 0 C-N-CA 124.245 0.926 . . . . 0.0 114.301 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -71.53 156.13 39.78 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-N 118.663 1.232 . . . . 0.0 110.834 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.49 156.72 26.42 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 123.191 0.596 . . . . 0.0 110.694 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -55.6 -43.04 75.66 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 121.691 -0.631 . . . . 0.0 110.791 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -57.93 -31.94 67.31 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.507 1.123 . . . . 0.0 112.995 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -86.13 -47.93 9.06 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 125.149 1.38 . . . . 0.0 109.108 -179.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 72.2 t -59.1 -53.78 43.33 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 C-N-CA 124.246 1.018 . . . . 0.0 111.75 -178.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 21.6 ttpt -58.91 -36.94 75.54 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -63.18 -50.73 69.16 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 179.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.67 -43.54 97.54 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 124.099 0.96 . . . . 0.0 112.698 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.84 -41.68 99.44 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-N 119.443 1.019 . . . . 0.0 109.376 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.38 -51.21 70.34 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 118.809 0.732 . . . . 0.0 110.319 179.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 47.4 mt -58.88 -46.36 91.23 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.65 9.06 0.71 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 126.507 1.923 . . . . 0.0 114.501 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 54.71 32.49 17.48 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 120.432 1.469 . . . . 0.0 111.203 -178.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 68.12 49.53 0.85 Allowed 'General case' 0 C--O 1.237 0.406 0 C-N-CA 128.854 2.861 . . . . 0.0 111.218 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -121.05 116.19 24.56 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 123.999 0.92 . . . . 0.0 109.643 179.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 24.2 t -58.46 -45.78 89.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 C-N-CA 125.421 1.488 . . . . 0.0 111.421 179.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -57.84 -43.77 86.08 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 124.464 1.105 . . . . 0.0 110.803 -177.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.726 HG11 HG11 ' A' ' 39' ' ' VAL . 41.4 t -78.22 -40.6 25.79 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-O 119.48 -0.295 . . . . 0.0 110.28 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.4 -34.13 64.1 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 118.618 0.644 . . . . 0.0 111.879 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 43.1 mtt180 -56.45 -44.44 80.51 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 118.357 -0.83 . . . . 0.0 110.592 178.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 4.1 m -66.29 -39.32 89.29 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.666 0.786 . . . . 0.0 110.942 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 86.6 mt -62.11 -50.4 80.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.7 mt -63.68 -27.61 69.34 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.437 0.695 . . . . 0.0 109.888 179.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.32 -17.35 64.24 Favored 'General case' 0 C--N 1.341 0.201 0 O-C-N 121.177 -0.952 . . . . 0.0 110.761 178.217 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -101.55 -45.53 5.25 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 119.174 0.897 . . . . 0.0 110.773 177.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -65.02 -29.99 70.94 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 118.708 0.686 . . . . 0.0 112.443 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 46.4 t . . . . . 0 N--CA 1.454 -0.237 0 C-N-CA 124.696 1.198 . . . . 0.0 108.071 179.447 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 40.2 t . . . . . 0 CA--C 1.536 0.438 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.3 -40.48 82.13 Favored 'General case' 0 N--CA 1.462 0.147 0 C-N-CA 124.26 1.024 . . . . 0.0 110.969 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.07 -39.48 94.84 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 122.935 0.494 . . . . 0.0 110.666 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.411 ' HB3' HD11 ' A' ' 30' ' ' LEU . 70.9 mttt -66.99 -47.45 71.49 Favored 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.262 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 56.8 mt -56.55 -56.81 11.87 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.153 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 178.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.98 -34.48 63.38 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.257 0.623 . . . . 0.0 111.601 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -64.32 -56.81 11.89 Favored 'General case' 0 C--N 1.341 0.239 0 CA-C-N 119.375 0.989 . . . . 0.0 108.647 178.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -58.96 -40.51 84.93 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 118.888 0.767 . . . . 0.0 110.137 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 90.9 mtp -61.05 -32.38 72.0 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 119.696 1.135 . . . . 0.0 109.523 178.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.04 -13.4 72.7 Favored Glycine 0 CA--C 1.531 1.045 0 C-N-CA 124.735 1.16 . . . . 0.0 111.475 178.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -79.42 -32.32 42.83 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 119.312 1.556 . . . . 0.0 107.14 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 123.67 67.92 0.21 Allowed Glycine 0 C--N 1.337 0.627 0 C-N-CA 125.597 1.57 . . . . 0.0 111.169 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -144.63 156.2 44.0 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.7 1.2 . . . . 0.0 110.631 178.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.56 158.85 30.84 Favored 'General case' 0 C--N 1.341 0.221 0 C-N-CA 124.87 1.268 . . . . 0.0 110.129 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -59.07 -43.23 91.73 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 -178.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -68.76 -41.35 78.99 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 119.697 1.135 . . . . 0.0 112.412 -178.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -57.84 -50.53 72.98 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 123.581 0.752 . . . . 0.0 109.197 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.3 t -64.04 -45.56 96.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 O-C-N 121.783 -0.573 . . . . 0.0 110.747 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.7 ttpt -59.37 -33.39 71.12 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 118.559 0.618 . . . . 0.0 111.512 -179.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -75.83 -52.3 10.68 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 178.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.24 -46.59 72.61 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.54 1.136 . . . . 0.0 112.062 -178.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.411 HD11 ' HB3' ' A' ' 12' ' ' LYS . 2.8 mm? -62.08 -44.48 96.58 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.846 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -61.87 -48.8 78.91 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 119.107 0.867 . . . . 0.0 110.386 -179.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 95.7 mt -56.76 -46.23 83.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 N-CA-C 107.402 -1.332 . . . . 0.0 107.402 179.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.74 5.73 1.03 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.76 1.624 . . . . 0.0 114.546 179.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 53.84 43.9 30.29 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 120.921 1.692 . . . . 0.0 107.549 -177.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 49.08 49.46 19.48 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 129.104 2.962 . . . . 0.0 110.493 -178.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -111.04 116.86 31.88 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 106.499 -1.667 . . . . 0.0 106.499 178.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.2 t -58.04 -49.45 81.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 C-N-CA 123.656 0.783 . . . . 0.0 111.851 -179.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -60.96 -40.56 93.83 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -178.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.839 HG11 HG11 ' B' ' 39' ' ' VAL . 35.0 t -74.29 -40.46 50.13 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 179.235 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.97 -35.36 73.05 Favored 'General case' 0 CA--C 1.531 0.22 0 O-C-N 121.371 -0.831 . . . . 0.0 109.959 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 35.2 ttt-85 -64.97 -20.03 66.28 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 122.81 0.444 . . . . 0.0 111.454 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.0 m -90.76 -38.47 12.99 Favored 'General case' 0 C--O 1.226 -0.156 0 C-N-CA 124.903 1.281 . . . . 0.0 108.518 178.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 66.5 mt -58.12 -46.17 88.37 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 179.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 55.4 mt -70.02 -9.95 57.01 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 118.261 -0.876 . . . . 0.0 112.765 179.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -68.57 -41.65 79.41 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 176.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -74.91 -51.33 14.07 Favored 'General case' 0 CA--C 1.523 -0.082 0 O-C-N 123.994 0.808 . . . . 0.0 110.274 179.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 . . . . . 0 N--CA 1.466 0.335 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 -178.971 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 53.6 t . . . . . 0 CA--C 1.538 0.517 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.16 -51.69 61.2 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 125.514 1.526 . . . . 0.0 112.026 -179.705 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.53 -25.78 68.21 Favored 'General case' 0 C--O 1.23 0.078 0 CA-C-O 119.131 -0.462 . . . . 0.0 112.108 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . 0.424 ' HB3' HD11 ' B' ' 30' ' ' LEU . 45.2 mttp -72.45 -41.12 66.45 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 179.156 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 94.1 mt -61.08 -51.02 78.04 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 N-CA-C 105.635 -1.987 . . . . 0.0 105.635 178.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.4 -41.64 80.69 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 121.829 -0.545 . . . . 0.0 110.561 179.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 31.2 tttp -58.51 -53.34 59.44 Favored 'General case' 0 C--N 1.339 0.134 0 C-N-CA 123.68 0.792 . . . . 0.0 111.141 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -68.25 -40.5 81.95 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 117.392 -1.289 . . . . 0.0 110.723 179.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 93.2 mtp -55.41 -35.96 65.94 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 120.525 1.511 . . . . 0.0 109.201 178.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.2 -18.36 54.88 Favored Glycine 0 CA--C 1.531 1.043 0 C-N-CA 125.091 1.329 . . . . 0.0 113.561 179.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -86.08 -5.0 59.29 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.504 1.652 . . . . 0.0 109.721 178.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.37 66.05 0.98 Allowed Glycine 0 C--N 1.338 0.682 0 C-N-CA 126.004 1.764 . . . . 0.0 112.556 179.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -139.96 161.15 38.29 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 124.388 1.075 . . . . 0.0 109.964 178.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' ALA . . . . . 0.428 ' HB3' ' CG ' ' B' ' 25' ' ' GLU . . . -77.35 156.64 31.13 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 122.841 0.456 . . . . 0.0 110.68 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -62.59 -44.58 95.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.069 -0.395 . . . . 0.0 110.357 178.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -63.29 -40.72 98.16 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 117.798 0.272 . . . . 0.0 111.026 -178.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.428 ' CG ' ' HB3' ' B' ' 22' ' ' ALA . 5.6 mm-40 -63.24 -53.38 53.84 Favored 'General case' 0 N--CA 1.461 0.078 0 C-N-CA 125.444 1.497 . . . . 0.0 109.083 179.514 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 75.7 t -60.32 -52.66 58.79 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 C-N-CA 124.072 0.949 . . . . 0.0 111.696 -178.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 25.5 ttpt -55.24 -39.49 69.79 Favored 'General case' 0 CA--C 1.518 -0.258 0 O-C-N 123.961 0.788 . . . . 0.0 110.18 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -70.45 -51.59 28.2 Favored 'General case' 0 N--CA 1.453 -0.289 0 O-C-N 123.504 0.503 . . . . 0.0 110.298 -179.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.89 -39.12 77.12 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 118.382 -0.818 . . . . 0.0 111.515 -179.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' B' ' 35' ' ' ASN . 0.7 OUTLIER -63.18 -43.32 98.58 Favored 'General case' 0 C--N 1.343 0.304 0 CA-C-N 119.945 1.248 . . . . 0.0 108.451 178.572 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.09 -48.3 78.93 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 125.501 1.52 . . . . 0.0 109.707 -179.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 76.3 mt -64.13 -45.75 95.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.424 ' HB2' HD12 ' B' ' 43' ' ' ILE . . . -67.48 13.78 0.06 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.666 1.986 . . . . 0.0 115.228 -179.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' GLN . . . . . 0.598 ' HG3' HG22 ' A' ' 39' ' ' VAL . 6.3 mm100 54.18 42.6 31.46 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 120.955 1.707 . . . . 0.0 107.893 -178.027 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . 0.447 ' HA ' HD12 ' B' ' 30' ' ' LEU . 87.3 m-20 51.88 36.19 17.55 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 128.337 2.655 . . . . 0.0 111.258 -178.542 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 36.3 t-20 -109.82 119.42 39.29 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 120.122 1.328 . . . . 0.0 112.238 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 40.8 t -55.63 -44.88 78.36 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 C-N-CA 124.876 1.27 . . . . 0.0 112.007 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -58.13 -33.11 68.8 Favored 'General case' 0 C--O 1.231 0.08 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 -177.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.839 HG11 HG11 ' A' ' 39' ' ' VAL . 61.9 t -92.62 -41.06 12.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 C-N-CA 123.244 0.618 . . . . 0.0 110.694 -179.296 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.03 -35.69 64.71 Favored 'General case' 0 C--O 1.231 0.105 0 C-N-CA 123.876 0.87 . . . . 0.0 111.684 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 50.3 ttt-85 -62.53 -43.09 99.66 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 179.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 23.1 m -69.96 -34.65 73.68 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.165 0.586 . . . . 0.0 110.36 178.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.424 HD12 ' HB2' ' B' ' 33' ' ' ALA . 30.5 mt -60.71 -48.61 87.97 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 178.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 36.8 mt -62.5 -20.58 64.74 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.529 0.732 . . . . 0.0 112.414 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 -68.6 -38.71 80.84 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 120.078 1.308 . . . . 0.0 111.053 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -76.01 -43.43 44.28 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 123.704 0.627 . . . . 0.0 109.771 179.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -67.59 -37.35 82.46 Favored 'General case' 0 CA--C 1.529 0.17 0 O-C-N 121.632 -0.667 . . . . 0.0 111.418 179.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.444 -0.735 0 C-N-CA 126.353 1.861 . . . . 0.0 110.662 -177.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.691 0 N-CA-C 110.271 -1.132 . . . . 0.0 110.271 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 p -46.76 -38.58 10.26 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 126.631 1.972 . . . . 0.0 115.96 -179.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 m -135.05 138.46 43.92 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.41 8.42 7.44 Favored Glycine 0 CA--C 1.524 0.597 0 CA-C-O 118.015 -1.436 . . . . 0.0 114.202 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.4 t -122.07 92.57 3.76 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 118.98 1.39 . . . . 0.0 108.471 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 t 48.84 -164.43 0.03 OUTLIER 'General case' 0 C--O 1.239 0.517 0 C-N-CA 127.473 2.309 . . . . 0.0 113.973 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.52 -76.21 0.24 Allowed Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 125.787 1.66 . . . . 0.0 110.649 179.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -135.34 164.46 27.7 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 117.701 0.751 . . . . 0.0 110.37 -179.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.0 t -120.27 -52.7 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 C-N-CA 123.699 0.8 . . . . 0.0 110.241 -179.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -57.74 -38.07 74.71 Favored 'General case' 0 C--O 1.233 0.191 0 O-C-N 121.45 -0.781 . . . . 0.0 112.728 -178.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.4 -38.05 89.64 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 178.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -66.98 -40.45 87.43 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.46 0.704 . . . . 0.0 109.546 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 95.5 mt -61.6 -51.08 77.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 N-CA-C 106.36 -1.719 . . . . 0.0 106.36 178.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.4 -41.1 68.87 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 122.975 0.51 . . . . 0.0 110.279 179.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.5 tptt -54.65 -63.25 1.21 Allowed 'General case' 0 C--O 1.234 0.246 0 C-N-CA 125.102 1.361 . . . . 0.0 110.637 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.58 -36.22 82.0 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.382 1.073 . . . . 0.0 112.268 -179.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 87.5 mtp -58.96 -29.96 67.56 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 119.578 1.081 . . . . 0.0 108.937 178.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.67 -16.36 69.81 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 124.324 0.964 . . . . 0.0 112.382 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -78.78 -7.54 57.92 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 118.458 1.129 . . . . 0.0 108.975 178.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.08 44.92 3.19 Favored Glycine 0 C--N 1.343 0.944 0 C-N-CA 125.353 1.454 . . . . 0.0 113.057 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -126.77 152.83 46.37 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 118.58 1.19 . . . . 0.0 109.839 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.01 147.62 48.42 Favored 'General case' 0 C--N 1.339 0.131 0 C-N-CA 123.143 0.577 . . . . 0.0 109.964 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -50.37 -44.05 54.6 Favored 'General case' 0 C--O 1.224 -0.257 0 C-N-CA 124.811 1.245 . . . . 0.0 111.999 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -57.21 -49.15 76.91 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.669 1.188 . . . . 0.0 112.408 -178.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -65.17 -40.14 93.88 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 125.467 1.507 . . . . 0.0 109.212 -179.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 88.4 t -66.41 -45.63 88.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 O-C-N 121.406 -0.809 . . . . 0.0 109.587 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.8 -38.8 76.16 Favored 'General case' 0 CA--C 1.528 0.126 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 179.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.07 -50.98 68.44 Favored 'General case' 0 C--N 1.339 0.148 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 179.358 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.44 -45.83 84.26 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 122.991 0.516 . . . . 0.0 112.359 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -69.12 -28.44 66.47 Favored 'General case' 0 C--N 1.34 0.169 0 CA-C-O 117.512 -1.232 . . . . 0.0 111.715 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -64.99 -58.68 5.48 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 107.905 -1.146 . . . . 0.0 107.905 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 61.2 mt -55.98 -51.33 62.41 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 C-N-CA 126.297 1.839 . . . . 0.0 110.264 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.75 12.76 0.07 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.297 1.839 . . . . 0.0 115.813 -178.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 51.74 41.55 29.18 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 120.975 1.716 . . . . 0.0 109.026 -177.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 8.0 m120 55.37 54.95 7.94 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 127.615 2.366 . . . . 0.0 111.517 -179.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -126.48 118.96 26.01 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 121.041 -1.037 . . . . 0.0 109.769 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 30.9 t -61.06 -46.74 96.07 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 C-N-CA 125.367 1.467 . . . . 0.0 112.729 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -59.12 -31.71 69.18 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 125.207 1.403 . . . . 0.0 111.861 -177.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 98.2 t -90.88 -40.29 12.52 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.509 0 C-N-CA 127.792 2.437 . . . . 0.0 111.121 -179.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.94 -32.18 72.57 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 124.345 1.058 . . . . 0.0 111.47 179.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 20.1 ttm180 -58.72 -36.87 74.99 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-O 118.978 -0.534 . . . . 0.0 109.75 179.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.9 m -68.29 -34.76 76.75 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.926 0.89 . . . . 0.0 111.319 179.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 82.1 mt -67.66 -50.76 57.82 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.114 0 C-N-CA 123.831 0.853 . . . . 0.0 108.705 -179.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.9 mt -62.54 -34.29 76.62 Favored 'General case' 0 N--CA 1.461 0.088 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -59.36 -44.72 92.67 Favored 'General case' 0 C--O 1.224 -0.254 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 178.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -69.16 -52.99 22.48 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.318 1.047 . . . . 0.0 111.432 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -68.84 -22.02 64.25 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 116.11 1.893 . . . . 0.0 116.11 -178.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.0 t -117.94 -59.97 1.85 Allowed 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 120.398 1.454 . . . . 0.0 111.585 -178.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 74.14 71.52 1.11 Allowed Glycine 0 CA--C 1.534 1.235 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -70.47 151.18 64.87 Favored 'Trans proline' 0 C--O 1.238 0.507 0 C-N-CA 122.873 2.382 . . . . 0.0 112.943 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.1 m -96.54 166.99 11.42 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.133 0.973 . . . . 0.0 110.859 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 56.9 m -145.68 -170.35 3.44 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 128.883 2.873 . . . . 0.0 106.343 178.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.503 -0.668 0 CA-C-O 117.816 -1.547 . . . . 0.0 110.846 179.06 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.084 0 N-CA-C 109.301 -1.52 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 77.6 p -66.23 -35.26 79.96 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 119.094 1.447 . . . . 0.0 113.445 -179.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 70.9 m -147.1 141.78 26.68 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.04 8.51 5.72 Favored Glycine 0 CA--C 1.526 0.737 0 CA-C-O 118.441 -1.2 . . . . 0.0 114.701 -179.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 2.2 t -77.71 91.92 4.11 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 119.828 1.814 . . . . 0.0 108.972 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 6.1 t 44.98 -118.2 0.66 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.553 1.541 . . . . 0.0 111.228 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.54 -167.66 13.68 Favored Glycine 0 C--N 1.338 0.656 0 C-N-CA 124.262 0.934 . . . . 0.0 112.117 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -58.03 147.7 28.58 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 178.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.414 HG22 HD22 ' B' ' 35' ' ' ASN . 20.3 t -101.58 -38.43 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 118.886 0.766 . . . . 0.0 109.808 -179.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.55 -44.37 85.15 Favored 'General case' 0 N--CA 1.463 0.221 0 C-N-CA 123.943 0.897 . . . . 0.0 109.777 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.5 -20.09 59.02 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 123.957 0.903 . . . . 0.0 112.955 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 41.0 mttp -89.87 -45.01 9.54 Favored 'General case' 0 CA--C 1.519 -0.213 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 79.4 mt -59.55 -55.89 20.8 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 N-CA-C 107.605 -1.257 . . . . 0.0 107.605 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.14 -21.55 33.42 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.545 0.738 . . . . 0.0 112.529 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 58.2 tttt -78.82 -58.42 3.25 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 119.38 0.991 . . . . 0.0 109.659 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.04 -33.3 71.84 Favored 'General case' 0 C--N 1.339 0.15 0 CA-C-N 119.015 0.825 . . . . 0.0 111.743 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 90.9 mtp -60.29 -30.54 69.54 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 118.75 0.704 . . . . 0.0 110.335 178.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.03 -21.15 76.82 Favored Glycine 0 CA--C 1.528 0.847 0 CA-C-O 118.878 -0.957 . . . . 0.0 111.849 179.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -64.9 -53.65 43.22 Favored 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 105.874 -1.898 . . . . 0.0 105.874 178.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 151.16 16.12 0.07 OUTLIER Glycine 0 CA--C 1.532 1.12 0 CA-C-O 118.28 -1.289 . . . . 0.0 114.231 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -100.81 152.33 20.64 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 119.565 1.683 . . . . 0.0 111.011 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.18 160.66 32.06 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.676 0.791 . . . . 0.0 111.808 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -56.73 -45.07 82.14 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.602 0.761 . . . . 0.0 110.724 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -51.53 -53.95 32.42 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 125.622 1.569 . . . . 0.0 110.252 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -62.07 -46.98 86.72 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 126.591 1.956 . . . . 0.0 112.13 -178.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 84.2 t -64.64 -53.37 43.18 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 C-N-CA 123.249 0.619 . . . . 0.0 111.451 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 mtpt -54.89 -39.65 68.95 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 118.022 0.374 . . . . 0.0 110.309 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -64.95 -53.98 37.76 Favored 'General case' 0 N--CA 1.447 -0.594 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.45 -43.55 71.73 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 122.714 0.405 . . . . 0.0 111.916 -179.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.84 -43.12 97.12 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-O 118.183 -0.913 . . . . 0.0 111.061 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -59.45 -38.73 81.47 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 119.159 0.89 . . . . 0.0 111.585 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 81.7 mt -72.05 -42.21 67.84 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.721 0 C-N-CA 124.329 1.052 . . . . 0.0 109.019 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.17 6.85 2.49 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 128.689 2.796 . . . . 0.0 114.362 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 57.51 45.77 19.01 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 119.58 1.082 . . . . 0.0 108.256 -176.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . 0.414 HD22 HG22 ' B' ' 9' ' ' VAL . 4.2 m-20 48.33 62.1 2.69 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 128.872 2.869 . . . . 0.0 110.557 179.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 64.4 t-20 -135.06 120.26 18.89 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.167 1.387 . . . . 0.0 110.45 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 29.1 t -58.63 -44.94 90.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 C-N-CA 124.164 0.985 . . . . 0.0 111.64 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -55.2 -39.3 69.47 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.064 0.946 . . . . 0.0 112.687 -177.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 61.3 t -86.56 -38.55 12.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 CA-C-O 118.861 -0.59 . . . . 0.0 109.798 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.64 -33.33 46.35 Favored 'General case' 0 C--N 1.342 0.263 0 CA-C-N 119.184 0.902 . . . . 0.0 111.707 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 36.8 ttm180 -58.43 -51.15 71.06 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 178.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 6.3 m -59.76 -30.33 68.78 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.487 1.115 . . . . 0.0 112.264 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 99.6 mt -75.54 -46.01 38.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 21.7 mt -63.34 -30.92 71.97 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 178.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 22.0 mmt180 -67.17 -23.07 65.73 Favored 'General case' 0 CA--C 1.529 0.137 0 O-C-N 121.111 -0.993 . . . . 0.0 109.953 177.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -91.67 -43.33 9.66 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 119.136 0.88 . . . . 0.0 110.748 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -76.61 -22.7 53.81 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 119.068 0.849 . . . . 0.0 112.637 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 7.7 t -124.86 -60.92 1.34 Allowed 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 125.154 1.381 . . . . 0.0 111.521 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 54.24 60.79 7.96 Favored Glycine 0 CA--C 1.535 1.326 0 CA-C-O 118.332 -1.26 . . . . 0.0 111.316 -178.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -61.91 163.31 19.52 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 123.305 2.67 . . . . 0.0 113.629 -178.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 2.0 m -93.31 159.81 15.1 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 125.502 1.521 . . . . 0.0 111.359 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 19.6 m -144.11 153.76 42.49 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 106.028 -1.842 . . . . 0.0 106.028 177.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.073 0 N-CA-C 105.558 -3.017 . . . . 0.0 105.558 -178.833 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.685 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.7 m 57.09 -167.2 0.13 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.783 1.233 . . . . 0.0 111.488 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t -91.71 98.48 11.66 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 105.725 -1.954 . . . . 0.0 105.725 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.62 145.85 19.06 Favored Glycine 0 CA--C 1.522 0.483 0 N-CA-C 109.873 -1.291 . . . . 0.0 109.873 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.4 165.87 14.93 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 124.626 1.17 . . . . 0.0 109.3 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.4 t 49.41 -134.14 1.44 Allowed 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.975 1.31 . . . . 0.0 110.559 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.43 -160.91 24.86 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 109.729 -1.349 . . . . 0.0 109.729 -179.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -53.97 137.26 39.79 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.545 0.738 . . . . 0.0 110.679 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 38.3 t -104.42 -37.59 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 C-N-CA 125.158 1.383 . . . . 0.0 112.563 -178.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -52.87 -46.79 68.06 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 125.007 1.323 . . . . 0.0 110.806 -179.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.81 -33.1 75.19 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.021 0.928 . . . . 0.0 110.889 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 46.7 mttp -64.66 -44.69 89.58 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 119.475 1.034 . . . . 0.0 108.361 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 92.8 mt -63.06 -49.35 83.79 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.62 -34.89 67.69 Favored 'General case' 0 CA--C 1.536 0.426 0 O-C-N 121.604 -0.685 . . . . 0.0 112.251 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.6 tptm -61.35 -63.52 1.25 Allowed 'General case' 0 C--N 1.339 0.121 0 C-N-CA 124.899 1.28 . . . . 0.0 108.47 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.16 -35.75 77.96 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 118.39 -0.814 . . . . 0.0 112.358 -179.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 84.3 mtp -58.56 -34.63 71.26 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 119.789 1.177 . . . . 0.0 110.064 178.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -66.97 -18.2 68.51 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 123.867 0.746 . . . . 0.0 112.484 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -72.1 -14.61 61.89 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.741 1.27 . . . . 0.0 109.485 178.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.66 39.82 1.83 Allowed Glycine 0 CA--C 1.526 0.769 0 C-N-CA 125.364 1.459 . . . . 0.0 111.47 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -128.89 149.11 50.91 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 119.027 1.413 . . . . 0.0 109.911 179.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.17 154.29 33.29 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 121.702 0.763 . . . . 0.0 110.409 -179.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -52.3 -39.02 59.97 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 126.624 1.97 . . . . 0.0 111.434 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -62.5 -46.51 88.1 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 119.201 0.909 . . . . 0.0 110.628 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -62.3 -50.59 71.06 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 124.366 1.066 . . . . 0.0 109.21 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 65.9 t -62.86 -48.33 88.56 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 C-N-CA 124.3 1.04 . . . . 0.0 111.937 -178.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -62.43 -38.08 88.34 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 118.047 -0.978 . . . . 0.0 109.187 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 32.6 tpt180 -64.71 -48.74 73.54 Favored 'General case' 0 C--N 1.341 0.196 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.18 -60.17 3.69 Favored 'General case' 0 N--CA 1.434 -1.244 0 C-N-CA 125.929 1.692 . . . . 0.0 108.873 179.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -56.35 -25.66 50.06 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 119.473 1.033 . . . . 0.0 112.941 -178.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -69.13 -46.98 66.3 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 179.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 81.8 mt -66.01 -48.15 82.68 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 C-N-CA 125.454 1.501 . . . . 0.0 110.061 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.69 12.47 0.07 Allowed 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 116.537 2.051 . . . . 0.0 116.537 -178.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 55.8 37.2 28.57 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 120.311 1.414 . . . . 0.0 108.735 -177.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 51.98 57.76 6.16 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 128.089 2.556 . . . . 0.0 113.089 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 64.1 t-20 -131.86 123.94 28.53 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 126.518 1.927 . . . . 0.0 110.767 -179.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 33.5 t -65.44 -40.69 89.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 C-N-CA 126.231 1.812 . . . . 0.0 112.67 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -59.81 -41.65 91.72 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.328 1.051 . . . . 0.0 110.939 -178.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.72 HG11 HG11 ' B' ' 39' ' ' VAL . 59.8 t -78.62 -44.29 25.84 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 178.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.15 -29.11 29.56 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 -178.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 21.3 ttm180 -54.63 -49.49 70.39 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 119.32 0.963 . . . . 0.0 110.795 178.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.5 m -65.28 -23.82 67.14 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.997 1.319 . . . . 0.0 113.753 -179.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 71.7 mt -80.59 -48.33 19.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 N-CA-C 106.487 -1.672 . . . . 0.0 106.487 179.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.5 mt -62.76 -26.38 68.68 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 120.405 -1.435 . . . . 0.0 110.676 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 -60.87 -53.45 57.11 Favored 'General case' 0 C--O 1.226 -0.172 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 177.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -69.55 -39.54 77.35 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 118.432 0.56 . . . . 0.0 112.096 -179.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -73.62 -19.05 60.96 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 115.216 1.562 . . . . 0.0 115.216 -178.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.3 t -136.74 16.01 3.11 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 120.436 1.471 . . . . 0.0 113.751 -178.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -178.79 56.74 0.09 OUTLIER Glycine 0 CA--C 1.532 1.106 0 O-C-N 120.897 -1.127 . . . . 0.0 112.587 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -61.11 111.2 1.02 Allowed 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 123.391 2.728 . . . . 0.0 110.261 -179.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.0 p -159.34 152.29 21.96 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 15.1 m -119.58 -7.25 10.14 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 -178.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.061 0 CA-C-O 117.901 -1.499 . . . . 0.0 109.614 -179.718 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.781 0 N-CA-C 107.276 -2.33 . . . . 0.0 107.276 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 17.5 m 70.87 171.11 0.32 Allowed 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 127.072 2.149 . . . . 0.0 108.37 -177.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 23.0 t -76.27 116.66 17.17 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 106.139 -1.8 . . . . 0.0 106.139 178.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.73 107.58 0.59 Allowed Glycine 0 N--CA 1.444 -0.773 0 N-CA-C 108.116 -1.994 . . . . 0.0 108.116 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 7.9 t -67.08 169.85 7.8 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.054 0.942 . . . . 0.0 109.192 178.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 5.7 t 69.31 172.41 0.3 Allowed 'General case' 0 C--O 1.237 0.403 0 C-N-CA 126.281 1.832 . . . . 0.0 111.677 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.71 -148.46 19.34 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 126.871 2.177 . . . . 0.0 108.457 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -87.04 163.39 17.06 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.137 1.469 . . . . 0.0 107.813 178.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 71.3 t -110.03 -45.22 6.24 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 C-N-CA 124.999 1.32 . . . . 0.0 110.981 -179.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -55.36 -41.28 72.34 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 123.926 0.89 . . . . 0.0 110.261 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.04 -38.24 85.46 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 126.092 1.757 . . . . 0.0 110.772 178.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 42.3 mttp -71.48 -42.48 68.02 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 118.191 -0.909 . . . . 0.0 109.116 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 94.1 mt -57.66 -51.86 64.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 N-CA-C 106.908 -1.516 . . . . 0.0 106.908 178.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.95 -36.43 67.79 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 122.147 0.179 . . . . 0.0 110.955 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 38.5 tttt -56.17 -45.04 79.85 Favored 'General case' 0 CA--C 1.528 0.1 0 O-C-N 121.106 -0.996 . . . . 0.0 111.836 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -69.23 -31.97 70.9 Favored 'General case' 0 CA--C 1.527 0.088 0 CA-C-N 119.275 0.943 . . . . 0.0 109.832 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 94.7 mtp -63.9 -21.93 66.69 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 177.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.41 -23.48 73.48 Favored Glycine 0 CA--C 1.536 1.351 0 N-CA-C 108.815 -1.714 . . . . 0.0 108.815 176.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -88.94 -49.43 6.79 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 177.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 134.51 8.37 1.99 Allowed Glycine 0 C--N 1.344 0.985 0 N-CA-C 117.359 1.704 . . . . 0.0 117.359 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -72.03 170.32 14.11 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 120.602 2.201 . . . . 0.0 109.837 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.52 151.39 25.43 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 107.63 -1.248 . . . . 0.0 107.63 177.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -52.75 -43.8 66.02 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 124.47 1.108 . . . . 0.0 113.552 -178.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -63.29 -42.36 99.08 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 122.815 0.446 . . . . 0.0 111.353 -178.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -61.87 -43.5 98.71 Favored 'General case' 0 CA--C 1.529 0.138 0 N-CA-C 108.099 -1.074 . . . . 0.0 108.099 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 88.2 t -63.26 -53.17 49.33 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 C-N-CA 123.554 0.742 . . . . 0.0 110.508 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 19.2 ttpt -54.87 -36.68 65.37 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 18.8 tpt180 -68.65 -55.24 12.14 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.87 -40.87 76.96 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 125.982 1.713 . . . . 0.0 113.804 -178.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -60.57 -39.46 88.08 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 119.674 1.125 . . . . 0.0 110.762 -179.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -62.96 -46.12 89.21 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 119.248 0.931 . . . . 0.0 110.483 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 59.8 mt -59.35 -48.6 86.5 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.58 12.56 0.34 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 127.533 2.333 . . . . 0.0 115.445 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 51.79 43.88 29.71 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 120.942 1.701 . . . . 0.0 110.08 -178.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 50.71 41.2 25.8 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 128.106 2.562 . . . . 0.0 112.034 -179.252 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -114.52 115.71 27.66 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.9 t -56.77 -41.5 75.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 C-N-CA 123.834 0.853 . . . . 0.0 110.431 179.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -52.9 -34.18 53.79 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 125.328 1.451 . . . . 0.0 111.348 -178.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.72 HG11 HG11 ' A' ' 39' ' ' VAL . 38.8 t -97.42 -34.8 4.98 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 CA-C-N 118.244 0.475 . . . . 0.0 109.795 179.326 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.88 -37.49 71.44 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 119.228 0.922 . . . . 0.0 109.908 179.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -56.95 -49.95 74.12 Favored 'General case' 0 C--O 1.222 -0.36 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 178.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 17.6 m -60.73 -30.1 69.78 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 125.183 1.393 . . . . 0.0 113.725 -179.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 86.3 mt -74.48 -56.89 7.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 178.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 42.3 mt -56.36 -32.61 64.9 Favored 'General case' 0 CA--C 1.519 -0.225 0 C-N-CA 125.603 1.561 . . . . 0.0 111.992 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -48.94 -52.81 22.61 Favored 'General case' 0 CA--C 1.512 -0.49 0 C-N-CA 125.305 1.442 . . . . 0.0 111.167 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -90.63 -28.03 18.68 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 118.579 -0.724 . . . . 0.0 112.879 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -63.06 -31.55 72.72 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 119.129 0.877 . . . . 0.0 108.768 179.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 6.3 t -113.37 22.1 14.55 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 126.451 1.9 . . . . 0.0 110.454 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 167.62 77.21 0.04 OUTLIER Glycine 0 CA--C 1.529 0.931 0 CA-C-N 120.038 1.29 . . . . 0.0 114.603 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -58.49 113.5 1.58 Allowed 'Trans proline' 0 CA--C 1.535 0.526 0 C-N-CA 123.024 2.482 . . . . 0.0 108.367 179.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 2.3 p -147.02 154.19 40.92 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 123.981 0.912 . . . . 0.0 108.737 -178.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 2.2 m -126.97 -10.41 6.0 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -178.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.267 0 C-N-CA 125.979 1.752 . . . . 0.0 110.073 179.86 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.535 0 N-CA-C 108.989 -1.645 . . . . 0.0 108.989 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 p -135.86 -36.59 0.76 Allowed 'General case' 0 C--O 1.236 0.348 0 C-N-CA 123.892 0.877 . . . . 0.0 111.375 179.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.3 m -160.37 120.77 2.91 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 127.323 2.249 . . . . 0.0 105.888 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.21 90.2 0.08 OUTLIER Glycine 0 C--N 1.329 0.181 0 N-CA-C 109.867 -1.293 . . . . 0.0 109.867 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.93 31.81 19.98 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.421 1.088 . . . . 0.0 113.452 179.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.45 132.13 49.14 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 126.032 1.733 . . . . 0.0 107.547 178.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.91 -28.09 73.01 Favored Glycine 0 CA--C 1.533 1.19 0 O-C-N 121.137 -0.977 . . . . 0.0 114.041 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -63.95 149.98 46.08 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 124.647 1.179 . . . . 0.0 111.344 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.6 p -135.65 -30.07 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.813 178.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -55.88 -51.05 68.94 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 120.394 1.452 . . . . 0.0 110.491 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.51 -31.94 69.83 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.458 0.703 . . . . 0.0 111.558 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.0 mttt -71.27 -39.39 71.58 Favored 'General case' 0 CA--C 1.519 -0.215 0 C-N-CA 123.665 0.786 . . . . 0.0 109.416 179.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 78.9 mt -62.04 -49.05 85.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 N-CA-C 105.624 -1.991 . . . . 0.0 105.624 178.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.28 -25.58 67.19 Favored 'General case' 0 CA--C 1.536 0.417 0 O-C-N 121.856 -0.528 . . . . 0.0 111.868 179.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 65.8 tttt -69.56 -63.79 1.0 Allowed 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 179.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -59.57 -34.99 73.4 Favored 'General case' 0 C--O 1.225 -0.186 0 C-N-CA 123.672 0.789 . . . . 0.0 111.562 -179.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 49.2 mmm -57.06 -26.48 60.44 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 119.15 0.886 . . . . 0.0 111.085 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.2 -18.21 74.7 Favored Glycine 0 CA--C 1.527 0.843 0 O-C-N 121.017 -1.052 . . . . 0.0 112.771 178.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -80.22 -6.38 57.74 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 125.194 1.398 . . . . 0.0 111.378 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.94 -0.51 55.08 Favored Glycine 0 C--N 1.34 0.77 0 C-N-CA 124.49 1.043 . . . . 0.0 114.404 179.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -74.8 161.99 29.08 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 118.627 1.213 . . . . 0.0 110.89 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.21 152.37 26.45 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 124.001 0.92 . . . . 0.0 110.274 179.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -55.04 -42.53 72.79 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 123.518 0.727 . . . . 0.0 110.456 179.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -57.93 -53.56 56.81 Favored 'General case' 0 C--O 1.233 0.191 0 C-N-CA 124.346 1.058 . . . . 0.0 110.585 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -59.68 -47.08 87.05 Favored 'General case' 0 CA--C 1.516 -0.342 0 C-N-CA 125.318 1.447 . . . . 0.0 110.822 -179.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 64.3 t -58.87 -56.61 15.67 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.524 0 C-N-CA 124.751 1.22 . . . . 0.0 109.18 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.8 mtpt -56.62 -40.66 75.73 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-O 119.111 -0.471 . . . . 0.0 110.579 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.2 tpt180 -64.08 -46.26 85.08 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 -178.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.14 -43.92 97.78 Favored 'General case' 0 N--CA 1.445 -0.675 0 C-N-CA 123.081 0.552 . . . . 0.0 110.76 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.3 -43.49 98.79 Favored 'General case' 0 C--N 1.342 0.246 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 179.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -57.82 -45.34 86.29 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.283 1.433 . . . . 0.0 110.903 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.2 mt -68.69 -44.47 82.38 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.414 ' HA ' HG13 ' B' ' 39' ' ' VAL . . . -71.62 0.7 8.03 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 128.807 2.843 . . . . 0.0 115.375 -179.544 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 59.96 53.85 4.49 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.666 1.186 . . . . 0.0 108.685 -176.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 49.57 50.51 18.1 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 128.079 2.552 . . . . 0.0 110.778 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -124.17 120.98 33.87 Favored 'General case' 0 C--N 1.333 -0.14 0 O-C-N 121.475 -0.766 . . . . 0.0 111.368 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 38.6 t -63.36 -53.18 48.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 C-N-CA 125.941 1.696 . . . . 0.0 110.834 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -49.8 -48.2 50.83 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.701 1.2 . . . . 0.0 110.595 -178.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 69.1 t -73.92 -43.6 52.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 123.05 0.54 . . . . 0.0 110.543 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.22 -34.63 66.5 Favored 'General case' 0 C--N 1.341 0.214 0 CA-C-N 119.332 0.969 . . . . 0.0 110.995 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 35.0 mtp180 -60.89 -25.46 66.73 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-O 117.468 -1.254 . . . . 0.0 110.296 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.3 m -79.02 -55.43 5.13 Favored 'General case' 0 C--O 1.225 -0.205 0 CA-C-N 120.038 1.29 . . . . 0.0 108.037 178.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 78.9 mt -49.84 -46.36 22.46 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 C-N-CA 125.534 1.534 . . . . 0.0 111.518 -178.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.2 mt -62.87 -22.58 66.8 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-O 118.265 -0.874 . . . . 0.0 112.142 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.8 mmt85 -70.56 -44.35 67.59 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 120.31 1.414 . . . . 0.0 107.381 178.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -57.84 -57.57 12.17 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -64.05 -49.7 71.33 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 118.813 0.733 . . . . 0.0 112.652 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 7.4 t -76.37 16.0 0.52 Allowed 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 117.959 -1.019 . . . . 0.0 113.038 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -43.0 -67.49 0.94 Allowed Glycine 0 CA--C 1.532 1.119 0 C-N-CA 125.546 1.546 . . . . 0.0 112.501 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -73.15 113.27 3.73 Favored 'Trans proline' 0 N--CA 1.45 -1.061 0 C-N-CA 122.809 2.34 . . . . 0.0 108.69 178.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 77.6 p -132.92 165.29 25.01 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 124.477 1.111 . . . . 0.0 108.165 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 33.6 m -113.79 -26.6 8.12 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.312 0 N-CA-C 108.268 -1.933 . . . . 0.0 108.268 -179.76 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.893 0 N-CA-C 110.063 -1.215 . . . . 0.0 110.063 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 20.6 p -117.52 -76.82 0.57 Allowed 'General case' 0 CA--C 1.521 -0.136 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 52.5 m -129.4 123.88 32.8 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 125.06 1.344 . . . . 0.0 108.574 -179.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.63 165.84 23.49 Favored Glycine 0 CA--C 1.52 0.395 0 N-CA-C 109.215 -1.554 . . . . 0.0 109.215 -179.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 15.7 m 54.1 18.27 1.69 Allowed 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.937 1.295 . . . . 0.0 113.876 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 17.2 p -85.4 157.82 20.4 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 125.104 1.362 . . . . 0.0 109.455 179.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.48 -48.57 6.68 Favored Glycine 0 CA--C 1.527 0.812 0 N-CA-C 109.468 -1.453 . . . . 0.0 109.468 178.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -46.29 109.33 0.18 Allowed 'General case' 0 C--O 1.238 0.45 0 C-N-CA 126.842 2.057 . . . . 0.0 112.944 -179.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 6.9 p -93.96 -30.05 4.3 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 C-N-CA 124.575 1.15 . . . . 0.0 109.142 178.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -48.05 -57.19 6.13 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 126.861 2.064 . . . . 0.0 112.106 -179.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.42 -24.88 67.65 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 21.9 mttp -72.09 -41.45 67.3 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 97.1 mt -61.34 -50.92 78.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.29 -36.89 66.65 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 118.014 0.37 . . . . 0.0 111.873 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 72.2 tttt -63.95 -62.46 1.62 Allowed 'General case' 0 C--N 1.34 0.167 0 C-N-CA 124.377 1.071 . . . . 0.0 109.846 179.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -59.2 -35.95 74.5 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-O 118.996 -0.526 . . . . 0.0 111.951 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 41.6 mmm -55.89 -36.04 67.2 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 119.355 0.98 . . . . 0.0 109.345 178.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.87 -8.91 55.05 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 124.929 1.252 . . . . 0.0 113.496 179.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -91.29 1.8 56.84 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.606 1.203 . . . . 0.0 110.7 178.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.06 48.48 3.09 Favored Glycine 0 C--N 1.338 0.659 0 C-N-CA 124.097 0.856 . . . . 0.0 114.382 178.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -132.55 159.0 40.71 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 123.314 0.645 . . . . 0.0 109.781 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.26 155.35 20.11 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 123.923 0.889 . . . . 0.0 110.877 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -55.75 -42.23 75.1 Favored 'General case' 0 N--CA 1.465 0.295 0 O-C-N 121.699 -0.626 . . . . 0.0 111.622 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -65.45 -27.7 68.7 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -82.61 -46.3 13.47 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 91.7 t -60.63 -55.6 23.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 125.009 1.324 . . . . 0.0 110.751 -179.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt -58.86 -35.09 72.38 Favored 'General case' 0 N--CA 1.461 0.113 0 CA-C-O 118.889 -0.577 . . . . 0.0 110.804 -179.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -65.68 -51.83 56.29 Favored 'General case' 0 N--CA 1.457 -0.117 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.31 -44.17 95.68 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.399 0.68 . . . . 0.0 111.601 179.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -58.87 -47.96 83.05 Favored 'General case' 0 C--N 1.34 0.156 0 CA-C-O 118.342 -0.837 . . . . 0.0 109.631 179.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -53.91 -50.32 66.66 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.415 1.086 . . . . 0.0 110.544 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 74.9 mt -59.07 -48.33 87.09 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 C-N-CA 124.194 0.997 . . . . 0.0 108.974 -179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.83 12.93 0.32 Allowed 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.157 1.783 . . . . 0.0 114.274 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 53.4 43.67 31.04 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 121.037 1.744 . . . . 0.0 109.172 -178.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 53.26 39.64 30.05 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 128.164 2.585 . . . . 0.0 112.235 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -104.53 122.86 46.45 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 178.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 29.6 t -59.2 -58.92 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.146 0 C-N-CA 124.71 1.204 . . . . 0.0 112.277 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -52.95 -42.9 65.91 Favored 'General case' 0 CA--C 1.522 -0.11 0 C-N-CA 124.272 1.029 . . . . 0.0 111.961 -176.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.414 HG13 ' HA ' ' A' ' 33' ' ' ALA . 62.9 t -72.84 -41.02 61.19 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 C-N-CA 125.281 1.433 . . . . 0.0 109.528 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.37 -30.6 71.31 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 119.172 0.896 . . . . 0.0 111.432 179.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 10.2 mtp180 -55.14 -48.66 73.37 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 118.591 0.632 . . . . 0.0 109.699 178.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 6.8 m -56.97 -42.47 80.24 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.043 1.337 . . . . 0.0 112.085 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 98.1 mt -60.89 -52.68 58.9 Favored 'Isoleucine or valine' 0 C--O 1.233 0.2 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 13.5 mt -61.78 -33.43 74.08 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-O 118.439 -0.791 . . . . 0.0 110.153 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.0 -47.78 83.27 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 119.557 1.072 . . . . 0.0 109.773 179.059 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.98 -47.07 69.57 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 124.006 0.922 . . . . 0.0 111.173 -179.376 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -69.29 -53.06 21.68 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 119.082 0.856 . . . . 0.0 110.995 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 23.0 t -87.34 51.19 2.16 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 126.049 1.74 . . . . 0.0 108.47 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -68.61 -65.29 2.7 Favored Glycine 0 CA--C 1.528 0.861 0 N-CA-C 106.267 -2.733 . . . . 0.0 106.267 178.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -87.23 151.4 8.04 Favored 'Trans proline' 0 CA--C 1.54 0.797 0 C-N-CA 123.889 3.06 . . . . 0.0 111.194 178.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 59.5 p -155.86 177.72 11.09 Favored 'General case' 0 C--O 1.239 0.532 0 C-N-CA 124.449 1.1 . . . . 0.0 109.843 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 69.0 m -78.52 -13.5 59.8 Favored 'General case' 0 CA--C 1.536 0.432 0 O-C-N 120.801 -1.187 . . . . 0.0 110.112 177.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.222 0 N-CA-C 107.622 -2.191 . . . . 0.0 107.622 -179.146 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.908 0 N-CA-C 109.968 -1.253 . . . . 0.0 109.968 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.8 m -148.72 159.55 44.02 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 118.589 1.195 . . . . 0.0 111.432 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.2 m -114.55 -173.09 2.23 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 128.243 2.617 . . . . 0.0 105.99 177.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.91 87.68 0.26 Allowed Glycine 0 C--N 1.331 0.277 0 N-CA-C 109.995 -1.242 . . . . 0.0 109.995 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.4 p -154.21 -135.01 0.05 OUTLIER 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 p -69.91 -179.37 1.84 Allowed 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 127.292 2.237 . . . . 0.0 111.288 179.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.79 -161.6 27.08 Favored Glycine 0 CA--C 1.527 0.829 0 C-N-CA 124.778 1.18 . . . . 0.0 112.162 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 62.1 m-20 -51.03 156.21 1.08 Allowed 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.194 1.398 . . . . 0.0 111.199 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.0 t -116.03 -52.73 4.62 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 C-N-CA 123.183 0.593 . . . . 0.0 110.814 -179.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -57.14 -41.11 78.51 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 119.613 1.097 . . . . 0.0 112.131 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.3 -34.76 77.21 Favored 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 122.895 0.478 . . . . 0.0 110.46 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -72.42 -40.1 67.37 Favored 'General case' 0 CA--C 1.516 -0.337 0 O-C-N 121.615 -0.678 . . . . 0.0 109.479 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 79.1 mt -60.48 -50.02 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 106.53 -1.655 . . . . 0.0 106.53 178.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.97 -40.27 69.84 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 122.691 0.396 . . . . 0.0 109.979 179.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.8 tptt -57.79 -60.98 2.87 Favored 'General case' 0 C--N 1.341 0.219 0 C-N-CA 124.57 1.148 . . . . 0.0 110.951 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.459 HD12 HD12 ' A' ' 44' ' ' LEU . 4.4 mm? -63.28 -34.46 77.72 Favored 'General case' 0 C--O 1.226 -0.141 0 CA-C-N 118.377 0.535 . . . . 0.0 111.249 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 91.0 mtp -61.02 -32.58 72.18 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 107.629 -1.248 . . . . 0.0 107.629 177.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.08 -10.26 64.97 Favored Glycine 0 CA--C 1.532 1.098 0 C-N-CA 125.607 1.575 . . . . 0.0 112.405 178.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -86.61 -11.43 51.45 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 118.796 1.298 . . . . 0.0 109.231 178.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.3 23.15 8.63 Favored Glycine 0 C--N 1.34 0.763 0 CA-C-O 118.274 -1.292 . . . . 0.0 113.763 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -106.23 154.36 20.83 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 119.363 1.582 . . . . 0.0 111.77 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.07 145.08 38.11 Favored 'General case' 0 C--N 1.343 0.301 0 C-N-CA 123.623 0.769 . . . . 0.0 111.431 -178.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 33.7 t80 -53.17 -40.02 64.02 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -178.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -64.99 -17.08 64.12 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -97.05 -34.4 11.18 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 124.744 1.218 . . . . 0.0 108.24 178.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 68.0 t -67.54 -56.58 12.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 C-N-CA 124.285 1.034 . . . . 0.0 112.336 -178.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.1 ttpt -56.1 -34.46 66.05 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 118.531 0.605 . . . . 0.0 109.684 -179.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -67.23 -47.95 69.26 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 124.859 1.264 . . . . 0.0 109.1 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.17 -44.72 94.8 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 118.307 0.503 . . . . 0.0 110.517 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.47 -22.61 64.56 Favored 'General case' 0 C--N 1.341 0.2 0 CA-C-O 118.169 -0.919 . . . . 0.0 111.51 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -71.75 -55.88 6.81 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 107.035 -1.469 . . . . 0.0 107.035 177.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 75.5 mt -58.18 -51.01 76.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 C-N-CA 124.784 1.233 . . . . 0.0 109.613 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.54 7.67 0.44 Allowed 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 126.433 1.893 . . . . 0.0 114.531 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 50.24 49.79 19.88 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 122.603 1.192 . . . . 0.0 110.352 -179.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.3 m120 56.81 31.84 20.25 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 128.732 2.813 . . . . 0.0 113.782 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -109.25 118.75 37.53 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 120.669 1.577 . . . . 0.0 110.515 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 42.4 t -62.76 -41.73 93.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 C-N-CA 123.903 0.881 . . . . 0.0 112.126 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -62.17 -30.26 70.93 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -177.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.68 HG11 HG11 ' B' ' 39' ' ' VAL . 60.8 t -86.78 -47.7 15.97 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 C-N-CA 124.448 1.099 . . . . 0.0 109.1 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.61 -32.41 58.78 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.61 1.164 . . . . 0.0 111.479 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 31.9 mtt-85 -54.94 -43.98 73.89 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.186 0.994 . . . . 0.0 110.51 178.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.8 m -71.19 -37.96 72.12 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 118.075 -0.964 . . . . 0.0 111.758 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.7 mt -56.96 -44.31 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-O 122.371 1.081 . . . . 0.0 109.137 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.459 HD12 HD12 ' A' ' 16' ' ' LEU . 79.4 mt -69.97 -22.67 63.13 Favored 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 120.998 -1.064 . . . . 0.0 112.903 -178.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 35.9 mtp-105 -72.25 -35.81 68.9 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 119.57 1.077 . . . . 0.0 108.729 178.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -77.89 -33.48 51.97 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-O 118.956 -0.545 . . . . 0.0 111.426 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -83.49 -52.22 6.68 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 119.383 0.992 . . . . 0.0 113.1 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.47 -9.28 58.51 Favored 'General case' 0 C--O 1.237 0.401 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 -178.086 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 64.04 176.95 4.61 Favored Glycine 0 CA--C 1.53 1.007 0 C-N-CA 123.703 0.668 . . . . 0.0 112.423 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -72.82 122.58 8.29 Favored 'Trans proline' 0 N--CA 1.452 -0.921 0 N-CA-C 105.934 -2.371 . . . . 0.0 105.934 178.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 t -126.52 176.16 7.38 Favored 'General case' 0 C--O 1.239 0.509 0 C-N-CA 123.696 0.799 . . . . 0.0 110.301 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.2 m -122.13 164.59 17.5 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 124.513 1.125 . . . . 0.0 109.71 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.126 0 CA-C-O 116.631 -2.205 . . . . 0.0 110.321 -179.919 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.823 0 N-CA-C 109.242 -1.543 . . . . 0.0 109.242 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -148.2 135.57 20.51 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 106.007 -1.849 . . . . 0.0 106.007 178.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 48.9 m -71.88 171.29 12.0 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 178.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.37 47.19 1.07 Allowed Glycine 0 CA--C 1.521 0.41 0 CA-C-O 118.218 -1.323 . . . . 0.0 111.666 -178.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 67.0 p -117.31 -77.03 0.57 Allowed 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 118.028 0.914 . . . . 0.0 110.749 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 79.0 p -133.19 174.39 10.43 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 124.411 1.085 . . . . 0.0 112.035 -179.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.72 -164.36 35.16 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 127.333 2.397 . . . . 0.0 108.998 -179.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -72.44 173.95 8.08 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 178.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 17.9 t -115.65 -42.9 3.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 CA-C-N 119.849 1.204 . . . . 0.0 112.102 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -59.58 -44.83 93.2 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 121.105 -0.997 . . . . 0.0 110.776 -179.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.62 -19.81 58.96 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.369 0.667 . . . . 0.0 111.921 178.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -91.13 -39.96 11.86 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.391 1.077 . . . . 0.0 109.128 179.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 73.6 mt -59.81 -52.13 64.73 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 N-CA-C 105.192 -2.151 . . . . 0.0 105.192 178.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.41 -15.27 57.1 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.627 0.771 . . . . 0.0 112.868 179.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 34.3 tptt -78.96 -62.03 1.83 Allowed 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 178.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.412 HD12 HD12 ' B' ' 44' ' ' LEU . 4.1 mm? -60.22 -36.71 78.31 Favored 'General case' 0 C--O 1.226 -0.135 0 C-N-CA 124.698 1.199 . . . . 0.0 111.831 -178.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 89.4 mtp -59.89 -23.52 63.53 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 119.421 1.01 . . . . 0.0 112.771 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -77.5 -19.54 76.09 Favored Glycine 0 CA--C 1.526 0.773 0 CA-C-O 119.236 -0.758 . . . . 0.0 111.464 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -73.66 -4.43 34.24 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 118.592 1.196 . . . . 0.0 111.526 179.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 113.49 -17.14 21.36 Favored Glycine 0 CA--C 1.523 0.564 0 C-N-CA 127.309 2.385 . . . . 0.0 115.824 177.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -68.06 146.89 53.07 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 -177.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.65 155.92 37.26 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 125.733 1.613 . . . . 0.0 111.88 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -57.0 -41.88 79.28 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 123.843 0.857 . . . . 0.0 111.329 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -63.76 -23.72 67.48 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.275 0.63 . . . . 0.0 111.781 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -91.85 -41.79 10.43 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 179.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 85.7 t -64.99 -54.94 23.57 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.23 0 O-C-N 120.986 -1.071 . . . . 0.0 113.287 -178.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt -56.13 -34.2 65.89 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 119.98 -0.688 . . . . 0.0 110.275 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -64.9 -55.39 19.6 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 107.278 -1.378 . . . . 0.0 107.278 178.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.12 -47.93 68.25 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.355 1.062 . . . . 0.0 111.446 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.47 -36.61 84.33 Favored 'General case' 0 C--O 1.225 -0.229 0 CA-C-O 117.994 -1.003 . . . . 0.0 111.312 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -62.7 -47.95 81.4 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 120.031 1.287 . . . . 0.0 110.094 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 18.7 mt -63.86 -44.19 98.03 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 124.592 1.157 . . . . 0.0 109.907 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.408 ' HA ' HG13 ' A' ' 39' ' ' VAL . . . -72.62 10.26 0.89 Allowed 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.22 1.808 . . . . 0.0 114.285 -179.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 52.77 42.5 31.82 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 120.923 1.692 . . . . 0.0 108.888 -177.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 28.1 m120 59.95 17.83 6.98 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 129.377 3.071 . . . . 0.0 112.066 -178.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 42.7 t-20 -89.46 118.76 29.34 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 121.915 2.143 . . . . 0.0 112.133 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 25.4 t -58.77 -44.02 89.27 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 C-N-CA 125.185 1.394 . . . . 0.0 110.632 179.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -53.28 -43.4 67.45 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 124.479 1.112 . . . . 0.0 110.797 -178.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.68 HG11 HG11 ' A' ' 39' ' ' VAL . 39.2 t -83.37 -38.52 14.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-O 118.843 -0.599 . . . . 0.0 110.835 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.4 ' HA ' HD12 ' B' ' 43' ' ' ILE . . . -54.2 -29.23 45.29 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 119.316 0.962 . . . . 0.0 111.483 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 32.7 mtt180 -60.13 -47.29 86.53 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-O 118.788 -0.625 . . . . 0.0 109.665 178.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 4.9 m -59.45 -32.85 70.6 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.648 1.179 . . . . 0.0 112.286 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.4 HD12 ' HA ' ' B' ' 40' ' ' ALA . 60.7 mt -73.36 -51.44 25.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 125.72 1.608 . . . . 0.0 109.23 -179.127 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.412 HD12 HD12 ' B' ' 16' ' ' LEU . 20.1 mt -63.83 -29.0 70.24 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 120.705 -1.247 . . . . 0.0 109.941 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.68 -23.92 67.41 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 117.557 -1.211 . . . . 0.0 110.224 177.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -94.96 -47.93 6.21 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 119.981 1.264 . . . . 0.0 110.829 178.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -63.09 -50.61 69.89 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 113.84 1.052 . . . . 0.0 113.84 -178.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 8.0 t -93.01 -36.38 12.76 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 123.315 0.646 . . . . 0.0 111.889 -178.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 78.9 -165.91 51.45 Favored Glycine 0 CA--C 1.537 1.428 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 -178.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -64.79 165.02 22.26 Favored 'Trans proline' 0 CA--C 1.539 0.77 0 C-N-CA 123.411 2.741 . . . . 0.0 111.8 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 2.9 t -157.94 -173.48 4.38 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.244 1.018 . . . . 0.0 109.188 179.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 42.0 m -139.78 102.44 4.43 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 126.062 1.745 . . . . 0.0 108.896 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.299 0 CA-C-O 117.391 -1.783 . . . . 0.0 110.487 179.838 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.643 0 N-CA-C 109.474 -1.45 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.5 m -133.4 174.58 10.26 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 126.222 1.809 . . . . 0.0 107.563 178.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.9 m -139.02 -168.55 2.45 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.039 1.336 . . . . 0.0 108.671 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.77 -17.06 52.49 Favored Glycine 0 CA--C 1.529 0.917 0 O-C-N 120.094 -1.628 . . . . 0.0 114.03 179.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.1 m -143.99 158.32 43.78 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 130.618 3.567 . . . . 0.0 103.804 178.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.4 t -160.21 -160.27 0.77 Allowed 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 119.48 1.036 . . . . 0.0 109.903 -177.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.77 -94.3 1.1 Allowed Glycine 0 CA--C 1.528 0.871 0 C-N-CA 126.824 2.154 . . . . 0.0 108.796 179.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -20.01 96.28 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 129.51 3.124 . . . . 0.0 113.429 -179.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.7 p -80.78 -37.98 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 CA-C-N 118.583 0.629 . . . . 0.0 111.939 -179.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -56.03 -37.77 69.66 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 121.381 -0.824 . . . . 0.0 111.9 -178.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.22 -45.82 89.89 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.3 mttp -62.06 -40.87 97.25 Favored 'General case' 0 C--O 1.225 -0.205 0 C-N-CA 124.231 1.012 . . . . 0.0 110.457 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 89.0 mt -59.33 -55.77 21.52 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 N-CA-C 107.552 -1.277 . . . . 0.0 107.552 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.26 -38.62 66.01 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 122.343 -0.223 . . . . 0.0 111.581 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.5 tttm -55.38 -63.35 1.19 Allowed 'General case' 0 C--N 1.343 0.321 0 C-N-CA 124.656 1.183 . . . . 0.0 110.579 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.39 -34.28 76.41 Favored 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 118.024 -0.989 . . . . 0.0 112.887 -179.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 98.2 mtp -57.63 -25.66 60.44 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 119.66 1.118 . . . . 0.0 110.052 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.07 -15.66 72.18 Favored Glycine 0 CA--C 1.53 1.029 0 C-N-CA 125.099 1.333 . . . . 0.0 113.139 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -85.45 -10.03 56.7 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.359 1.579 . . . . 0.0 111.624 178.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.69 55.26 0.79 Allowed Glycine 0 C--N 1.337 0.587 0 C-N-CA 123.711 0.672 . . . . 0.0 111.796 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -139.97 147.03 39.89 Favored 'General case' 0 C--O 1.242 0.682 0 N-CA-C 107.437 -1.32 . . . . 0.0 107.437 178.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.15 161.1 27.61 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 124.035 0.934 . . . . 0.0 111.365 -179.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -52.03 -47.94 64.77 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 125.111 1.365 . . . . 0.0 112.872 -179.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -61.13 -47.1 87.8 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -178.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -57.59 -49.38 76.61 Favored 'General case' 0 CA--C 1.52 -0.201 0 C-N-CA 125.376 1.47 . . . . 0.0 110.059 -178.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.1 t -63.48 -46.92 93.87 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.545 0 C-N-CA 123.642 0.777 . . . . 0.0 110.105 -179.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.6 mtpt -56.9 -41.52 78.23 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 178.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -64.16 -47.89 78.09 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.08 -46.64 88.89 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-O 118.588 -0.72 . . . . 0.0 111.261 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -63.02 -33.0 74.49 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 120.418 1.463 . . . . 0.0 110.319 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -64.92 -49.09 71.78 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 119.814 1.188 . . . . 0.0 108.823 178.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.4 mt -69.86 -32.89 53.48 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.905 0 C-N-CA 125.105 1.362 . . . . 0.0 111.545 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -83.25 13.75 4.03 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 127.592 2.357 . . . . 0.0 114.844 -178.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.461 ' HG3' HG22 ' B' ' 39' ' ' VAL . 6.5 mm100 54.69 38.74 30.57 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 120.75 1.614 . . . . 0.0 110.118 -178.178 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.2 t30 56.35 39.42 30.11 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.39 1.876 . . . . 0.0 111.783 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -117.64 120.66 38.7 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 125.04 1.336 . . . . 0.0 111.938 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.5 t -61.42 -43.81 97.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 C-N-CA 124.259 1.024 . . . . 0.0 111.204 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -56.71 -28.39 60.87 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 124.57 1.148 . . . . 0.0 112.547 -177.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.754 HG11 HG11 ' B' ' 39' ' ' VAL . 45.8 t -98.63 -42.75 11.34 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.402 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.409 ' HA ' HD12 ' A' ' 43' ' ' ILE . . . -52.8 -34.88 55.65 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 118.978 0.808 . . . . 0.0 110.749 179.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.3 ttm180 -55.17 -53.2 58.93 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 125.706 1.602 . . . . 0.0 109.221 178.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.4 m -68.48 -25.88 65.2 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.126 0.97 . . . . 0.0 113.159 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.409 HD12 ' HA ' ' A' ' 40' ' ' ALA . 91.0 mt -67.4 -58.5 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 N-CA-C 106.589 -1.634 . . . . 0.0 106.589 178.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 26.3 mt -55.58 -36.03 66.43 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 125.31 1.444 . . . . 0.0 110.167 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.43 -38.58 74.61 Favored 'General case' 0 CA--C 1.527 0.095 0 CA-C-O 119.127 -0.463 . . . . 0.0 111.334 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -100.23 -21.79 15.37 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 118.405 -0.807 . . . . 0.0 112.787 -179.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -73.94 -52.65 12.19 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 120.093 1.315 . . . . 0.0 107.642 178.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.82 -34.68 57.89 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 124.362 1.065 . . . . 0.0 108.892 179.418 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 69.18 -160.14 52.71 Favored Glycine 0 CA--C 1.534 1.254 0 N-CA-C 109.992 -1.243 . . . . 0.0 109.992 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -70.33 167.92 23.78 Favored 'Trans proline' 0 CA--C 1.538 0.706 0 C-N-CA 123.021 2.481 . . . . 0.0 109.186 178.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 69.5 m -158.01 161.18 38.08 Favored 'General case' 0 C--O 1.235 0.305 0 O-C-N 120.662 -1.274 . . . . 0.0 110.798 179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.9 m -68.36 175.31 3.41 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 124.213 1.005 . . . . 0.0 112.431 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.758 0 N-CA-C 107.168 -2.373 . . . . 0.0 107.168 179.322 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.973 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 73.7 m -137.93 170.4 16.11 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 124.62 1.168 . . . . 0.0 110.302 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 70.8 m -135.96 179.62 6.23 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 125.561 1.544 . . . . 0.0 109.024 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.91 -94.91 2.03 Favored Glycine 0 N--CA 1.449 -0.44 0 N-CA-C 110.338 -1.105 . . . . 0.0 110.338 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 24.1 m -84.09 155.48 22.63 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 117.881 0.841 . . . . 0.0 111.304 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 3.3 t -152.59 171.78 17.62 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.525 1.53 . . . . 0.0 107.776 178.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.97 -46.08 4.0 Favored Glycine 0 CA--C 1.525 0.673 0 CA-C-O 118.892 -0.949 . . . . 0.0 115.099 -178.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.98 137.13 58.25 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 118.896 1.348 . . . . 0.0 112.309 -178.14 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 7.7 p -112.07 -47.62 5.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 C-N-CA 124.17 0.988 . . . . 0.0 113.147 -179.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -54.12 -37.43 64.33 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 120.779 -1.201 . . . . 0.0 113.713 -178.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.0 -25.58 66.99 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.483 0.713 . . . . 0.0 112.198 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 20.0 mttp -83.59 -39.71 19.99 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 107.749 -1.204 . . . . 0.0 107.749 178.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 91.3 mt -58.31 -53.69 42.84 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 N-CA-C 106.917 -1.512 . . . . 0.0 106.917 178.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.58 -33.12 63.63 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 123.147 0.579 . . . . 0.0 112.32 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -64.55 -64.62 0.83 Allowed 'General case' 0 C--N 1.341 0.211 0 C-N-CA 124.537 1.135 . . . . 0.0 108.834 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.37 -37.39 75.14 Favored 'General case' 0 C--N 1.341 0.228 0 CA-C-N 118.634 0.652 . . . . 0.0 111.296 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 80.4 mtp -59.91 -25.74 65.37 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 119.197 0.908 . . . . 0.0 110.004 178.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -82.05 -7.68 87.53 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 124.606 1.098 . . . . 0.0 112.542 179.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -92.25 -3.53 55.37 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.416 -1.049 . . . . 0.0 110.965 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.78 62.53 1.07 Allowed Glycine 0 C--N 1.341 0.844 0 C-N-CA 124.652 1.12 . . . . 0.0 113.747 178.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -146.76 148.06 31.56 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 125.334 1.454 . . . . 0.0 108.307 178.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.5 156.08 39.4 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-O 120.976 0.417 . . . . 0.0 111.432 -178.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -55.77 -42.04 74.92 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -178.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -68.83 -34.34 75.33 Favored 'General case' 0 CA--C 1.528 0.121 0 CA-C-N 118.808 0.731 . . . . 0.0 111.251 -178.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -67.11 -44.6 79.52 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 123.809 0.844 . . . . 0.0 109.037 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 84.3 t -62.24 -53.85 42.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 124.157 0.983 . . . . 0.0 111.141 -179.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -56.15 -38.42 70.83 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 118.136 0.425 . . . . 0.0 110.655 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -64.18 -53.61 46.66 Favored 'General case' 0 CA--C 1.52 -0.179 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.3 -45.58 84.03 Favored 'General case' 0 N--CA 1.446 -0.657 0 C-N-CA 123.711 0.804 . . . . 0.0 112.129 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.15 -39.34 89.75 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-O 117.213 -1.375 . . . . 0.0 110.4 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -57.65 -51.58 68.92 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 119.78 1.173 . . . . 0.0 109.333 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 66.5 mt -61.8 -47.46 93.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 C-N-CA 125.117 1.367 . . . . 0.0 109.467 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.79 9.76 0.25 Allowed 'General case' 0 C--O 1.234 0.285 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 -179.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . 0.447 ' HG3' HG22 ' A' ' 39' ' ' VAL . 3.6 mm100 55.65 42.44 29.44 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 120.297 1.408 . . . . 0.0 108.215 -178.273 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 58.6 t30 44.71 55.03 6.21 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 128.76 2.824 . . . . 0.0 111.87 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 -128.15 117.73 22.11 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.872 1.669 . . . . 0.0 108.518 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 84.0 t -63.58 -36.04 74.92 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 O-C-N 121.189 -0.945 . . . . 0.0 110.578 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -56.27 -31.18 63.37 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 124.574 1.15 . . . . 0.0 111.629 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.754 HG11 HG11 ' A' ' 39' ' ' VAL . 49.2 t -99.11 -41.62 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.692 0 C-N-CA 124.018 0.927 . . . . 0.0 110.559 -178.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.65 -33.25 68.11 Favored 'General case' 0 N--CA 1.463 0.214 0 O-C-N 121.247 -0.908 . . . . 0.0 111.7 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 15.5 ttm180 -58.77 -42.16 88.28 Favored 'General case' 0 C--N 1.341 0.231 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 46.9 m -71.22 -33.31 69.76 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.639 -0.663 . . . . 0.0 111.091 179.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 55.9 mt -63.81 -57.84 9.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 179.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 29.5 mt -57.82 -34.48 69.71 Favored 'General case' 0 C--O 1.231 0.1 0 C-N-CA 123.301 0.641 . . . . 0.0 111.203 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -58.45 -48.17 81.59 Favored 'General case' 0 C--O 1.226 -0.169 0 C-N-CA 122.957 0.503 . . . . 0.0 109.875 179.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -80.24 -30.59 38.53 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -179.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -69.57 -53.03 20.88 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-N 119.064 0.847 . . . . 0.0 111.407 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 23.3 t -86.92 -28.99 22.44 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 118.378 -0.82 . . . . 0.0 112.742 -178.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 62.36 -159.98 32.77 Favored Glycine 0 CA--C 1.535 1.285 0 N-CA-C 109.825 -1.31 . . . . 0.0 109.825 -178.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -69.87 167.59 24.16 Favored 'Trans proline' 0 N--CA 1.455 -0.776 0 C-N-CA 121.805 1.67 . . . . 0.0 108.859 178.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 53.2 m -149.0 141.74 24.54 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 107.297 -1.372 . . . . 0.0 107.297 179.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 73.9 m -56.46 149.12 17.64 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 122.077 0.941 . . . . 0.0 112.846 -179.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.502 -0.78 0 N-CA-C 103.411 -3.876 . . . . 0.0 103.411 179.815 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.793 0 N-CA-C 112.138 -0.385 . . . . 0.0 112.138 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.12 -43.89 64.02 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.826 0.85 . . . . 0.0 110.293 179.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 p -81.26 161.85 23.76 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.628 0.771 . . . . 0.0 111.042 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.97 -167.66 12.77 Favored Glycine 0 CA--C 1.53 1.022 0 C-N-CA 126.351 1.929 . . . . 0.0 109.704 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 p -72.48 -8.27 54.25 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 117.673 0.737 . . . . 0.0 112.447 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 p -111.97 154.14 25.73 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 126.301 1.84 . . . . 0.0 109.075 179.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.32 166.32 10.58 Favored Glycine 0 CA--C 1.526 0.758 0 C-N-CA 124.759 1.171 . . . . 0.0 111.685 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -57.41 149.97 19.52 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.219 1.008 . . . . 0.0 110.028 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.7 t -79.24 -52.09 15.66 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 C-N-CA 127.696 2.398 . . . . 0.0 111.34 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -56.46 -35.32 67.79 Favored 'General case' 0 C--O 1.235 0.332 0 C-N-CA 124.42 1.088 . . . . 0.0 113.928 -177.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.15 -25.34 67.7 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 122.343 0.257 . . . . 0.0 110.464 178.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 42.1 mttp -77.64 -44.84 26.87 Favored 'General case' 0 CA--C 1.518 -0.261 0 C-N-CA 124.094 0.957 . . . . 0.0 108.631 178.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 94.7 mt -54.45 -59.07 2.44 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.33 -38.88 66.51 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 112.4 0.518 . . . . 0.0 112.4 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.6 tttt -57.14 -53.75 54.56 Favored 'General case' 0 CA--C 1.533 0.293 0 O-C-N 121.51 -0.744 . . . . 0.0 110.725 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -71.07 -34.67 71.41 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 118.463 -0.779 . . . . 0.0 111.028 179.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 92.2 mtp -59.9 -33.92 72.49 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 120.017 1.281 . . . . 0.0 109.404 178.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.07 -25.93 60.41 Favored Glycine 0 CA--C 1.53 1.009 0 CA-C-O 119.395 -0.669 . . . . 0.0 111.72 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -63.79 -25.41 68.17 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 119.243 1.521 . . . . 0.0 110.955 178.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 122.69 -5.29 9.89 Favored Glycine 0 CA--C 1.529 0.963 0 C-N-CA 125.654 1.597 . . . . 0.0 111.434 -178.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -73.36 155.8 39.01 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-N 118.914 1.357 . . . . 0.0 110.789 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.91 162.82 16.69 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.974 0.909 . . . . 0.0 111.775 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 80.8 t80 -57.95 -41.97 83.93 Favored 'General case' 0 C--O 1.238 0.461 0 O-C-N 121.217 -0.927 . . . . 0.0 112.307 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -60.87 -21.49 63.34 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.692 0.797 . . . . 0.0 112.26 179.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -91.41 -50.84 5.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 122.422 1.106 . . . . 0.0 110.077 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 94.3 t -62.43 -56.63 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 C-N-CA 125.175 1.39 . . . . 0.0 114.119 -177.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -56.5 -32.62 65.2 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 118.531 0.605 . . . . 0.0 111.264 -178.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 27.8 tpt180 -72.28 -54.72 8.71 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.86 -41.54 70.92 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.394 0.678 . . . . 0.0 111.611 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -63.06 -37.98 89.37 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-O 116.859 -1.543 . . . . 0.0 109.636 179.249 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -66.05 -49.38 67.86 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 120.791 1.632 . . . . 0.0 110.48 179.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 68.0 mt -56.63 -40.15 67.44 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.77 7.46 4.68 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.932 1.693 . . . . 0.0 113.344 179.158 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 54.4 46.44 25.04 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 120.847 1.658 . . . . 0.0 108.774 -177.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 31.4 m120 53.91 35.38 21.67 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 128.738 2.815 . . . . 0.0 111.366 -178.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -102.38 117.01 33.81 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 178.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.2 t -60.46 -48.23 89.28 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-O 118.876 -0.583 . . . . 0.0 112.461 -179.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -55.54 -52.6 63.18 Favored 'General case' 0 C--N 1.332 -0.162 0 O-C-N 123.557 0.536 . . . . 0.0 110.073 -177.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.716 HG11 HG11 ' B' ' 39' ' ' VAL . 59.7 t -64.63 -39.62 86.25 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 CA-C-O 119.048 -0.501 . . . . 0.0 110.222 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.86 -31.82 65.19 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 119.001 0.819 . . . . 0.0 110.617 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -56.97 -51.86 67.52 Favored 'General case' 0 C--N 1.345 0.376 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 178.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 37.6 m -60.84 -33.65 73.37 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.942 1.297 . . . . 0.0 112.597 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 60.1 mt -70.87 -49.35 50.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.337 0 C-N-CA 125.01 1.324 . . . . 0.0 109.112 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 18.0 mt -63.12 -31.98 73.26 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.481 0.712 . . . . 0.0 109.109 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.9 mmt180 -65.98 -19.1 65.75 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-O 117.957 -1.021 . . . . 0.0 111.078 178.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -98.04 -41.89 7.75 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 119.802 1.183 . . . . 0.0 110.21 178.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -69.05 -34.35 75.04 Favored 'General case' 0 C--N 1.34 0.167 0 O-C-N 123.7 0.625 . . . . 0.0 110.835 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.7 t -113.41 -70.57 0.8 Allowed 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 124.133 0.973 . . . . 0.0 110.883 -179.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 128.89 -161.04 22.49 Favored Glycine 0 CA--C 1.528 0.853 0 CA-C-N 119.53 1.059 . . . . 0.0 110.904 -179.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -70.62 165.49 31.78 Favored 'Trans proline' 0 CA--C 1.534 0.501 0 C-N-CA 123.148 2.565 . . . . 0.0 110.306 178.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.0 m -99.82 172.26 7.36 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.32 1.048 . . . . 0.0 110.167 179.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.6 p -146.7 150.83 36.16 Favored 'General case' 0 C--O 1.239 0.528 0 C-N-CA 125.916 1.686 . . . . 0.0 107.69 178.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.13 0 N-CA-C 109.551 -1.419 . . . . 0.0 109.551 -179.614 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.982 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.4 p -73.4 -28.44 62.01 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 124.093 0.957 . . . . 0.0 111.236 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 93.3 p -116.09 179.69 3.92 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 126.103 1.761 . . . . 0.0 108.195 178.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.52 -176.03 46.17 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 52.6 p -76.9 39.49 0.23 Allowed 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.56 1.544 . . . . 0.0 111.642 179.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 1.2 p -155.42 127.9 7.85 Favored 'General case' 0 N--CA 1.453 -0.3 0 O-C-N 119.97 -1.706 . . . . 0.0 108.186 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.47 -179.93 17.59 Favored Glycine 0 CA--C 1.525 0.718 0 C-N-CA 125.12 1.343 . . . . 0.0 110.119 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -55.89 144.03 29.57 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 124.261 1.024 . . . . 0.0 112.143 -178.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 81.8 t -77.65 -45.24 28.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 178.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -50.2 -46.33 54.39 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 126.205 1.802 . . . . 0.0 112.012 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.1 -19.96 55.92 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.108 0.963 . . . . 0.0 112.181 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 45.3 mttp -90.35 -41.67 11.37 Favored 'General case' 0 CA--C 1.52 -0.191 0 C-N-CA 125.108 1.363 . . . . 0.0 108.609 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 14.0 mt -54.66 -59.02 2.57 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 178.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.0 -38.81 76.82 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 122.13 -0.356 . . . . 0.0 111.475 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -59.25 -55.13 38.79 Favored 'General case' 0 C--N 1.339 0.129 0 O-C-N 121.409 -0.807 . . . . 0.0 110.022 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -65.03 -38.13 89.88 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-O 117.955 -1.022 . . . . 0.0 111.5 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 84.0 mtp -56.07 -40.66 73.93 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 119.668 1.122 . . . . 0.0 108.708 178.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.22 -16.01 59.55 Favored Glycine 0 CA--C 1.528 0.894 0 C-N-CA 124.571 1.081 . . . . 0.0 113.742 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 37.5 mm-40 -77.59 -15.23 59.36 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.474 1.637 . . . . 0.0 108.543 178.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.55 54.05 0.7 Allowed Glycine 0 C--N 1.34 0.76 0 C-N-CA 125.523 1.535 . . . . 0.0 112.713 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -136.87 160.52 38.63 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 125.383 1.473 . . . . 0.0 109.344 178.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.04 149.66 23.86 Favored 'General case' 0 C--N 1.343 0.32 0 CA-C-N 119.105 0.866 . . . . 0.0 109.625 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -52.85 -44.13 66.54 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 125.127 1.371 . . . . 0.0 114.434 -178.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -64.15 -26.27 68.45 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -177.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -84.36 -45.8 12.4 Favored 'General case' 0 C--O 1.226 -0.16 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 53.1 t -58.77 -47.71 88.32 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 C-N-CA 124.51 1.124 . . . . 0.0 110.308 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 8.5 ttpt -56.88 -39.14 73.81 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 119.212 -0.423 . . . . 0.0 109.882 179.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 -67.77 -49.7 61.03 Favored 'General case' 0 C--N 1.341 0.197 0 C-N-CA 123.844 0.857 . . . . 0.0 108.81 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.35 -44.4 72.14 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 124.594 1.157 . . . . 0.0 112.396 -178.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -70.66 -26.64 63.54 Favored 'General case' 0 N--CA 1.456 -0.128 0 CA-C-O 117.995 -1.002 . . . . 0.0 112.586 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -68.7 -51.35 42.56 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 106.143 -1.799 . . . . 0.0 106.143 178.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 68.5 mt -58.54 -49.32 82.77 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.253 0 C-N-CA 125.015 1.326 . . . . 0.0 108.768 179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.2 3.59 1.16 Allowed 'General case' 0 C--O 1.235 0.298 0 C-N-CA 125.438 1.495 . . . . 0.0 114.233 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 51.89 44.99 28.98 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-O 122.93 1.347 . . . . 0.0 108.56 -178.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 8.8 m120 59.2 21.29 9.39 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 130.584 3.554 . . . . 0.0 113.436 -179.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -91.73 111.43 22.95 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 121.521 1.964 . . . . 0.0 110.431 179.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 22.0 t -53.85 -46.27 63.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 C-N-CA 124.372 1.069 . . . . 0.0 111.332 179.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -54.83 -36.29 64.85 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.878 0.871 . . . . 0.0 112.401 -177.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.716 HG11 HG11 ' A' ' 39' ' ' VAL . 41.5 t -84.37 -41.27 16.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 C-N-CA 123.406 0.682 . . . . 0.0 109.946 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.3 -33.32 63.17 Favored 'General case' 0 CA--C 1.531 0.233 0 O-C-N 121.734 -0.603 . . . . 0.0 112.41 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 35.9 mtp-105 -60.3 -44.99 94.91 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 118.654 -0.689 . . . . 0.0 109.624 179.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 51.3 m -70.5 -31.68 68.88 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 118.546 0.612 . . . . 0.0 110.539 179.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 62.1 mt -62.88 -54.93 27.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-N 119.571 1.078 . . . . 0.0 108.622 178.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 18.6 mt -60.77 -28.33 68.65 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 124.297 1.039 . . . . 0.0 110.767 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -67.5 -18.19 64.96 Favored 'General case' 0 N--CA 1.464 0.25 0 O-C-N 121.67 -0.644 . . . . 0.0 112.105 179.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -97.98 -37.67 9.69 Favored 'General case' 0 CA--C 1.531 0.219 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 178.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -67.39 -52.21 42.71 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.591 0.632 . . . . 0.0 109.742 178.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 41.9 t -89.02 -76.94 0.39 Allowed 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.842 1.257 . . . . 0.0 110.009 -179.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 131.46 -156.19 21.72 Favored Glycine 0 CA--C 1.532 1.128 0 N-CA-C 108.008 -2.037 . . . . 0.0 108.008 -178.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -70.78 172.83 12.87 Favored 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 123.219 2.612 . . . . 0.0 111.484 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 21.4 m -100.31 156.7 17.09 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 124.997 1.319 . . . . 0.0 107.574 178.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 4.4 p -141.84 76.04 1.52 Allowed 'General case' 0 C--O 1.235 0.321 0 CA-C-N 119.462 1.028 . . . . 0.0 110.635 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 N-CA-C 105.968 -2.853 . . . . 0.0 105.968 179.239 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.629 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.6 m -146.49 139.0 25.16 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 106.25 -1.759 . . . . 0.0 106.25 179.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.0 p -124.03 115.54 21.37 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 107.54 -1.282 . . . . 0.0 107.54 179.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.61 -51.6 57.92 Favored Glycine 0 CA--C 1.527 0.833 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.7 t -152.27 -176.53 5.72 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 125.069 1.347 . . . . 0.0 110.202 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 p -134.01 -4.52 2.78 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 127.604 2.361 . . . . 0.0 111.03 179.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.27 -23.54 4.59 Favored Glycine 0 CA--C 1.528 0.845 0 CA-C-O 117.819 -1.545 . . . . 0.0 116.51 178.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -75.51 138.31 41.47 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 120.019 1.909 . . . . 0.0 108.62 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.6 p -116.15 -35.17 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-N 120.119 1.327 . . . . 0.0 110.134 178.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -62.86 -34.7 77.9 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 120.157 -1.59 . . . . 0.0 111.188 -179.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.6 -15.21 62.73 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.537 1.135 . . . . 0.0 111.543 178.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 41.9 mttp -94.56 -43.06 8.5 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 125.455 1.502 . . . . 0.0 109.183 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.0 mt -57.16 -58.18 6.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.2 -27.31 63.77 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -179.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.7 tttp -70.06 -57.29 5.14 Favored 'General case' 0 C--O 1.225 -0.22 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 179.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.07 -36.96 78.5 Favored 'General case' 0 C--O 1.224 -0.284 0 CA-C-O 118.179 -0.915 . . . . 0.0 111.483 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 83.3 mtp -56.59 -39.54 73.71 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 119.963 1.256 . . . . 0.0 108.394 178.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.25 -9.71 55.16 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 125.609 1.576 . . . . 0.0 113.948 179.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -89.6 0.33 57.01 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 118.913 1.356 . . . . 0.0 108.482 177.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.61 53.2 1.86 Allowed Glycine 0 C--N 1.34 0.79 0 C-N-CA 126.75 2.119 . . . . 0.0 112.935 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -137.11 158.46 44.39 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 118.126 0.963 . . . . 0.0 110.099 179.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.65 149.02 23.74 Favored 'General case' 0 C--N 1.338 0.096 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -50.06 -39.19 41.35 Favored 'General case' 0 C--O 1.224 -0.274 0 C-N-CA 124.516 1.127 . . . . 0.0 112.358 -179.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -59.93 -48.43 81.72 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 124.227 1.011 . . . . 0.0 112.205 -178.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -71.02 -38.54 72.62 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 125.362 1.465 . . . . 0.0 109.277 -179.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 67.5 t -65.68 -46.02 90.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 124.57 1.148 . . . . 0.0 110.423 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.9 ttpt -58.99 -40.62 85.4 Favored 'General case' 0 CA--C 1.515 -0.379 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.421 ' HD2' ' HA ' ' A' ' 28' ' ' ARG . 27.3 tpt180 -66.85 -43.42 83.69 Favored 'General case' 0 N--CA 1.449 -0.493 0 O-C-N 124.195 0.934 . . . . 0.0 109.528 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.05 -49.87 75.97 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 123.298 0.639 . . . . 0.0 109.588 179.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -66.27 -26.75 67.49 Favored 'General case' 0 C--N 1.34 0.178 0 CA-C-O 117.838 -1.077 . . . . 0.0 111.161 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -69.13 -58.44 4.07 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 120.163 1.347 . . . . 0.0 107.611 178.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 65.4 mt -56.41 -44.89 81.3 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 124.67 1.188 . . . . 0.0 109.234 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.47 7.94 1.24 Allowed 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.622 1.569 . . . . 0.0 114.553 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 51.43 44.37 29.01 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 120.827 1.649 . . . . 0.0 109.895 -178.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.3 m120 59.74 32.14 21.23 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 127.852 2.461 . . . . 0.0 112.709 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -102.94 115.56 30.84 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 120.209 1.368 . . . . 0.0 109.931 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.4 t -57.13 -45.2 84.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 C-N-CA 125.298 1.439 . . . . 0.0 111.877 179.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -56.34 -45.06 80.58 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 125.11 1.364 . . . . 0.0 111.757 -178.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.664 HG11 HG11 ' B' ' 39' ' ' VAL . 47.2 t -77.1 -42.17 31.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 C-N-CA 123.584 0.754 . . . . 0.0 110.263 -179.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.57 -38.01 52.36 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.784 0.834 . . . . 0.0 112.033 -179.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -56.08 -51.0 69.44 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 118.311 0.505 . . . . 0.0 110.773 178.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.5 m -62.92 -29.24 70.63 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.198 0.999 . . . . 0.0 112.305 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 44.5 mt -68.78 -52.02 39.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 N-CA-C 107.826 -1.175 . . . . 0.0 107.826 179.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.9 mt -62.29 -34.71 77.11 Favored 'General case' 0 CA--C 1.521 -0.155 0 C-N-CA 123.904 0.882 . . . . 0.0 109.735 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.0 mmt180 -65.61 -30.01 70.67 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 118.164 0.438 . . . . 0.0 110.119 178.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -77.47 -46.3 22.94 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 118.923 0.783 . . . . 0.0 108.947 178.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -64.74 -48.39 74.76 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 118.877 -0.583 . . . . 0.0 112.361 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 45.1 t -88.71 -77.36 0.37 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.31 1.844 . . . . 0.0 110.654 -179.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.82 -168.4 54.79 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 123.591 0.615 . . . . 0.0 112.408 -179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -67.31 118.01 5.26 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 123.351 2.7 . . . . 0.0 109.124 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.4 m -140.32 41.66 1.91 Allowed 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.279 1.031 . . . . 0.0 111.559 -179.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 55.2 m 44.78 70.55 0.33 Allowed 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.405 1.482 . . . . 0.0 113.487 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.936 0 N-CA-C 103.293 -3.923 . . . . 0.0 103.293 179.361 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.435 0 N-CA-C 109.646 -1.382 . . . . 0.0 109.646 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 59.5 m -144.77 137.42 26.44 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 106.243 -1.762 . . . . 0.0 106.243 178.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -162.85 122.87 2.3 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 105.495 -2.039 . . . . 0.0 105.495 -179.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.1 -77.87 1.01 Allowed Glycine 0 CA--C 1.52 0.393 0 N-CA-C 109.878 -1.289 . . . . 0.0 109.878 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 10.8 t -56.58 157.74 5.02 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 125.489 1.516 . . . . 0.0 112.155 -179.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 54.7 p -152.54 1.31 0.31 Allowed 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.28 -37.19 1.13 Allowed Glycine 0 CA--C 1.535 1.316 0 O-C-N 120.281 -1.512 . . . . 0.0 114.429 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -68.58 123.36 20.63 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 179.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 8.9 p -113.85 -32.79 2.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 119.451 1.023 . . . . 0.0 111.072 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.26 -43.02 96.52 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 120.046 1.294 . . . . 0.0 108.648 179.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.79 -18.39 65.04 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.663 0.785 . . . . 0.0 112.747 178.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -88.44 -44.63 10.59 Favored 'General case' 0 CA--C 1.52 -0.209 0 N-CA-C 107.089 -1.449 . . . . 0.0 107.089 178.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 60.3 mt -56.57 -51.99 58.89 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.2 0 N-CA-C 106.576 -1.639 . . . . 0.0 106.576 178.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.31 -17.08 40.34 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 179.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 42.7 tttp -82.03 -58.79 2.81 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 178.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.13 -36.02 76.56 Favored 'General case' 0 C--N 1.342 0.282 0 CA-C-N 119.448 1.022 . . . . 0.0 111.813 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 95.5 mtp -61.88 -26.05 67.92 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 119.075 0.852 . . . . 0.0 109.563 178.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.31 -20.92 79.52 Favored Glycine 0 C--N 1.336 0.531 0 C-N-CA 125.583 1.563 . . . . 0.0 111.403 178.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -72.27 -26.78 62.12 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.476 1.138 . . . . 0.0 108.598 178.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.21 -7.38 6.74 Favored Glycine 0 CA--C 1.53 0.993 0 CA-C-O 118.254 -1.304 . . . . 0.0 115.548 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -76.15 163.76 26.77 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 119.6 1.7 . . . . 0.0 112.872 -178.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.65 158.92 25.49 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.509 1.523 . . . . 0.0 110.388 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -56.87 -46.16 82.0 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.537 1.135 . . . . 0.0 113.458 -178.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -61.99 -46.74 87.92 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 118.827 0.74 . . . . 0.0 111.782 -178.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -56.91 -46.62 81.84 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 125.933 1.693 . . . . 0.0 110.511 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 75.8 t -64.88 -52.26 56.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 C-N-CA 123.859 0.863 . . . . 0.0 110.7 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 4.3 mtpt -56.87 -36.78 70.46 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.35 -179.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 20.4 tpt180 -65.19 -49.4 69.9 Favored 'General case' 0 C--N 1.338 0.086 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.2 -43.83 83.11 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.229 0.612 . . . . 0.0 111.606 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.74 -37.78 87.32 Favored 'General case' 0 C--N 1.342 0.244 0 CA-C-O 117.673 -1.156 . . . . 0.0 111.301 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -61.12 -52.19 65.93 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 119.666 1.121 . . . . 0.0 109.016 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 70.0 mt -60.34 -50.35 80.63 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.99 4.37 0.67 Allowed 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 116.043 1.868 . . . . 0.0 116.043 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 55.6 46.42 22.86 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 120.317 1.417 . . . . 0.0 108.935 -177.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 49.88 62.4 2.67 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 128.018 2.527 . . . . 0.0 110.96 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -132.03 123.84 28.08 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 124.892 1.277 . . . . 0.0 109.23 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 52.9 t -67.4 -44.06 87.24 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.067 0 CA-C-N 118.274 0.488 . . . . 0.0 111.811 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 80.0 mt-10 -53.21 -56.3 17.51 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.351 1.061 . . . . 0.0 109.083 -178.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.664 HG11 HG11 ' A' ' 39' ' ' VAL . 43.8 t -68.43 -42.24 83.85 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.53 0 CA-C-O 118.941 -0.552 . . . . 0.0 111.066 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.91 -32.05 65.54 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 119.579 1.081 . . . . 0.0 111.411 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 48.8 ttm-85 -60.73 -50.78 72.11 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 178.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 3.5 m -61.1 -34.94 75.75 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 118.459 -0.782 . . . . 0.0 111.404 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 63.0 mt -66.18 -51.9 54.1 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 26.6 mt -60.02 -31.28 69.8 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 121.861 -0.525 . . . . 0.0 109.893 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -71.98 -12.53 61.28 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 117.987 -1.006 . . . . 0.0 112.28 179.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -93.24 -56.32 2.99 Favored 'General case' 0 C--O 1.236 0.353 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 178.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -63.08 -53.0 60.48 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 122.963 0.505 . . . . 0.0 110.881 -178.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 9.5 t -82.0 -72.41 0.44 Allowed 'General case' 0 C--O 1.238 0.461 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 68.26 -159.67 51.47 Favored Glycine 0 CA--C 1.534 1.237 0 CA-C-O 118.909 -0.939 . . . . 0.0 110.872 -179.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -71.97 122.79 8.77 Favored 'Trans proline' 0 CA--C 1.535 0.546 0 C-N-CA 123.072 2.515 . . . . 0.0 108.837 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 67.8 m -124.52 22.49 8.36 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.971 0.909 . . . . 0.0 112.637 -178.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 19.5 m 67.2 7.11 5.23 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 126.743 2.017 . . . . 0.0 113.509 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.172 0 N-CA-C 105.524 -3.031 . . . . 0.0 105.524 178.942 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.363 0 N-CA-C 109.904 -1.278 . . . . 0.0 109.904 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.5 119.76 33.9 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 125.099 1.36 . . . . 0.0 109.787 -179.019 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.5 m -151.45 115.45 4.97 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 123.943 0.897 . . . . 0.0 109.382 179.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.01 161.87 11.11 Favored Glycine 0 C--N 1.336 0.53 0 CA-C-N 118.524 0.602 . . . . 0.0 113.595 178.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.1 t -84.87 167.22 16.19 Favored 'General case' 0 C--O 1.239 0.524 0 N-CA-C 107.078 -1.453 . . . . 0.0 107.078 178.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.5 m -161.34 162.58 30.89 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 126.45 1.9 . . . . 0.0 106.689 178.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.53 159.48 11.42 Favored Glycine 0 CA--C 1.525 0.677 0 CA-C-O 122.796 1.22 . . . . 0.0 114.071 179.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -50.75 120.19 4.54 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 129.407 3.083 . . . . 0.0 111.836 -178.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.5 p -65.05 -35.74 76.17 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 C-N-CA 125.216 1.406 . . . . 0.0 111.488 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.03 -52.87 38.72 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 125.141 1.376 . . . . 0.0 111.253 -179.259 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.69 -33.21 69.9 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.951 0.9 . . . . 0.0 111.698 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 54.4 mttp -68.88 -45.45 70.95 Favored 'General case' 0 C--O 1.227 -0.099 0 N-CA-C 108.517 -0.919 . . . . 0.0 108.517 179.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 81.7 mt -60.63 -51.09 77.09 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 N-CA-C 107.259 -1.385 . . . . 0.0 107.259 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.74 -37.71 66.24 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 119.339 -0.363 . . . . 0.0 111.15 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.8 tttt -61.58 -56.87 15.18 Favored 'General case' 0 C--N 1.34 0.182 0 CA-C-O 118.485 -0.769 . . . . 0.0 110.222 179.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -58.27 -39.74 80.05 Favored 'General case' 0 C--O 1.225 -0.217 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.949 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 97.6 mtp -56.98 -36.87 70.85 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 119.914 1.234 . . . . 0.0 109.652 178.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.37 -11.49 52.78 Favored Glycine 0 CA--C 1.527 0.785 0 CA-C-O 118.62 -1.1 . . . . 0.0 112.824 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -95.18 -2.3 50.03 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 125.25 1.42 . . . . 0.0 109.577 178.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.0 68.66 1.14 Allowed Glycine 0 C--N 1.336 0.554 0 C-N-CA 126.182 1.849 . . . . 0.0 114.892 178.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -149.83 153.26 36.48 Favored 'General case' 0 C--O 1.239 0.544 0 C-N-CA 125.192 1.397 . . . . 0.0 107.93 178.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.11 148.99 39.24 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 122.312 0.245 . . . . 0.0 110.341 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -53.25 -38.46 63.01 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.058 0.943 . . . . 0.0 111.651 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -62.75 -53.21 57.79 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.779 1.632 . . . . 0.0 110.579 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -57.04 -48.39 78.63 Favored 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 125.68 1.592 . . . . 0.0 108.914 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 99.5 t -61.14 -47.14 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.45 0 C-N-CA 124.858 1.263 . . . . 0.0 110.087 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -56.64 -43.74 80.57 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -64.7 -50.55 66.52 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 119.447 -0.901 . . . . 0.0 109.261 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.25 -44.58 79.8 Favored 'General case' 0 N--CA 1.446 -0.635 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -65.06 -38.52 91.07 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-N 119.594 1.088 . . . . 0.0 109.842 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -62.34 -53.74 50.64 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 119.02 0.827 . . . . 0.0 109.386 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 64.6 mt -56.84 -44.75 82.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.39 4.67 1.63 Allowed 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.851 1.66 . . . . 0.0 113.735 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 50.49 47.64 23.76 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 123.157 1.456 . . . . 0.0 109.014 -177.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 52.42 54.68 10.27 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 130.993 3.717 . . . . 0.0 113.694 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -129.28 112.32 13.76 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 178.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 43.8 t -46.78 -49.53 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 C-N-CA 126.374 1.87 . . . . 0.0 112.025 -179.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -52.26 -40.15 61.35 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 124.826 1.25 . . . . 0.0 113.445 -178.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.764 HG11 HG11 ' B' ' 39' ' ' VAL . 42.6 t -86.94 -36.07 9.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 C-N-CA 123.771 0.828 . . . . 0.0 110.425 -178.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.56 -35.37 70.26 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 118.686 0.676 . . . . 0.0 109.223 178.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 64.6 mtt180 -58.32 -53.7 55.38 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.414 1.086 . . . . 0.0 109.12 178.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.0 m -56.71 -43.87 81.0 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.551 1.54 . . . . 0.0 110.434 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 66.0 mt -62.31 -50.05 81.49 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 C-N-CA 124.229 1.012 . . . . 0.0 109.105 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 33.8 mt -62.15 -28.37 69.6 Favored 'General case' 0 C--O 1.223 -0.334 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.881 179.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.9 mmt85 -65.17 -41.79 94.3 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 119.803 1.183 . . . . 0.0 109.873 179.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -70.61 -39.32 73.84 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.431 0.559 . . . . 0.0 109.777 179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -70.73 -52.82 18.42 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.978 0.808 . . . . 0.0 111.897 -179.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 34.3 t -100.12 78.5 2.08 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 126.727 2.011 . . . . 0.0 107.031 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -93.92 -78.71 1.42 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 108.567 -1.813 . . . . 0.0 108.567 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -67.26 127.85 17.4 Favored 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 123.056 2.504 . . . . 0.0 108.662 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.1 m -62.62 -23.24 66.96 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.7 m -117.49 119.06 33.91 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.316 0 N-CA-C 105.859 -2.896 . . . . 0.0 105.859 179.33 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.799 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 65.9 p -57.84 123.92 17.42 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.736 1.214 . . . . 0.0 112.89 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 32.9 m -170.61 174.55 5.0 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.987 2.115 . . . . 0.0 109.831 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.51 124.72 5.49 Favored Glycine 0 C--N 1.338 0.657 0 C-N-CA 126.448 1.975 . . . . 0.0 113.724 178.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.5 149.42 50.07 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-N 117.673 0.736 . . . . 0.0 109.687 178.551 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 5.7 m -147.72 147.02 29.48 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.325 1.05 . . . . 0.0 108.269 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.5 -178.45 16.6 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 124.002 0.811 . . . . 0.0 112.493 179.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -85.25 114.54 22.43 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 106.861 -1.533 . . . . 0.0 106.861 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 9.1 p -58.82 -27.87 36.23 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 CA-C-N 118.429 0.559 . . . . 0.0 110.47 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -58.34 -34.47 70.67 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 124.877 1.271 . . . . 0.0 110.607 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.69 -45.28 62.38 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 43.8 mttp -63.04 -39.43 94.72 Favored 'General case' 0 C--O 1.225 -0.225 0 C-N-CA 124.375 1.07 . . . . 0.0 109.939 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 38.0 mt -63.02 -58.12 9.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 N-CA-C 106.535 -1.654 . . . . 0.0 106.535 178.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.06 -34.42 60.02 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 111.573 0.212 . . . . 0.0 111.573 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 18.2 tptt -59.22 -62.58 1.77 Allowed 'General case' 0 C--N 1.339 0.141 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 178.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -57.83 -40.21 79.48 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-O 118.64 -0.695 . . . . 0.0 111.175 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 91.4 mtp -59.79 -33.92 72.35 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 119.783 1.174 . . . . 0.0 110.018 178.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.8 -23.59 67.47 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 178.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -80.36 -1.5 41.45 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.01 1.324 . . . . 0.0 111.311 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.12 53.63 1.86 Allowed Glycine 0 C--N 1.339 0.711 0 CA-C-O 118.041 -1.422 . . . . 0.0 116.276 177.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -134.63 153.42 51.99 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-N 117.99 0.895 . . . . 0.0 110.954 178.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.06 151.86 45.03 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 125.126 1.37 . . . . 0.0 110.201 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -57.92 -41.02 81.8 Favored 'General case' 0 C--N 1.333 -0.15 0 O-C-N 121.562 -0.711 . . . . 0.0 111.8 -179.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -60.74 -48.79 80.22 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 123.339 0.656 . . . . 0.0 110.802 -178.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -63.14 -48.31 79.01 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 125.308 1.443 . . . . 0.0 110.438 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 96.3 t -60.69 -48.02 90.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 O-C-N 120.941 -1.1 . . . . 0.0 111.61 -179.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 4.5 mtpt -59.09 -38.99 80.8 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -63.03 -54.61 35.49 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 107.784 -1.191 . . . . 0.0 107.784 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.47 -46.87 76.8 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 124.622 1.169 . . . . 0.0 112.571 -178.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.31 -37.69 87.91 Favored 'General case' 0 C--N 1.342 0.282 0 CA-C-O 117.644 -1.169 . . . . 0.0 110.932 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -61.39 -55.1 35.24 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 119.932 1.242 . . . . 0.0 109.625 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 77.2 mt -54.36 -48.32 68.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 C-N-CA 125.218 1.407 . . . . 0.0 108.602 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.13 11.38 0.32 Allowed 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 126.471 1.909 . . . . 0.0 115.535 -179.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 50.39 44.84 26.72 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 121.257 1.844 . . . . 0.0 108.955 -177.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 49.17 53.59 12.36 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 128.024 2.53 . . . . 0.0 111.128 -179.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 64.7 t-20 -121.11 114.75 21.9 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 179.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 28.7 t -55.14 -46.01 77.45 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 C-N-CA 124.627 1.171 . . . . 0.0 111.011 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -59.46 -38.49 80.91 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 125.534 1.533 . . . . 0.0 111.863 -177.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.764 HG11 HG11 ' A' ' 39' ' ' VAL . 80.1 t -83.44 -40.43 16.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 179.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.72 -34.09 67.15 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 118.898 0.772 . . . . 0.0 109.719 179.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 -58.5 -50.1 74.99 Favored 'General case' 0 C--N 1.339 0.151 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 178.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 69.6 m -61.33 -42.22 98.32 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.744 0.818 . . . . 0.0 111.215 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 72.9 mt -59.75 -50.36 80.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 13.4 mt -63.24 -27.25 69.22 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.919 179.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 20.7 mmt85 -65.86 -38.36 88.63 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 120.448 1.476 . . . . 0.0 109.89 178.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 47.4 mm-40 -68.22 -49.64 59.38 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 118.502 0.592 . . . . 0.0 110.042 179.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 -63.69 -51.81 63.4 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.913 0.885 . . . . 0.0 111.079 -179.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 40.9 t -78.41 72.28 4.92 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 125.662 1.585 . . . . 0.0 108.19 179.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -105.45 -71.02 0.8 Allowed Glycine 0 CA--C 1.524 0.597 0 C-N-CA 126.735 2.112 . . . . 0.0 108.669 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -79.01 94.96 1.06 Allowed 'Trans proline' 0 N--CA 1.45 -1.078 0 C-N-CA 123.252 2.635 . . . . 0.0 109.609 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 4.0 m -59.99 -27.48 66.9 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 121.344 -0.847 . . . . 0.0 110.169 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 20.4 m -88.25 16.22 6.56 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 128.059 2.543 . . . . 0.0 112.102 179.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.013 0 C-N-CA 125.593 1.568 . . . . 0.0 110.526 179.34 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.96 0 CA-C-O 119.722 -0.488 . . . . 0.0 112.068 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.3 m -80.03 71.75 6.77 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 125.761 1.624 . . . . 0.0 108.915 179.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -69.82 -5.99 29.38 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 -179.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.76 -10.11 4.37 Favored Glycine 0 CA--C 1.529 0.933 0 N-CA-C 117.446 1.738 . . . . 0.0 117.446 178.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.7 m -89.24 147.81 23.94 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 121.113 2.457 . . . . 0.0 111.778 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.2 t -109.64 177.51 4.71 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.323 1.849 . . . . 0.0 106.858 178.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.75 170.79 34.62 Favored Glycine 0 CA--C 1.524 0.648 0 CA-C-O 118.464 -1.187 . . . . 0.0 110.153 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 5.52 93.82 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 129.664 3.186 . . . . 0.0 113.78 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.5 t -54.65 -39.76 48.06 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 C-N-CA 124.532 1.133 . . . . 0.0 109.747 179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -59.21 -44.9 92.27 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 123.605 0.762 . . . . 0.0 110.054 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.3 -16.63 63.78 Favored 'General case' 0 CA--C 1.527 0.085 0 C-N-CA 123.742 0.817 . . . . 0.0 112.096 179.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 47.7 mttp -93.34 -43.5 8.75 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.579 1.151 . . . . 0.0 108.202 179.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 63.5 mt -60.52 -53.67 45.73 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 178.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.21 -13.86 14.61 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 124.016 0.926 . . . . 0.0 112.244 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.9 tptm -77.47 -63.54 1.35 Allowed 'General case' 0 C--O 1.234 0.253 0 N-CA-C 107.386 -1.339 . . . . 0.0 107.386 178.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.67 -35.06 73.69 Favored 'General case' 0 CA--C 1.516 -0.35 0 C-N-CA 125.272 1.429 . . . . 0.0 111.77 -179.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 89.4 mtp -59.93 -18.86 48.3 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 118.668 0.667 . . . . 0.0 110.997 178.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.13 -26.95 65.15 Favored Glycine 0 CA--C 1.528 0.902 0 O-C-N 120.926 -1.109 . . . . 0.0 111.363 178.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -76.34 -11.01 59.83 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.914 1.286 . . . . 0.0 112.518 -179.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 117.08 -19.44 11.91 Favored Glycine 0 CA--C 1.526 0.732 0 C-N-CA 125.223 1.392 . . . . 0.0 114.833 178.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 55.4 m-85 -62.64 146.87 51.02 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-N 118.538 1.169 . . . . 0.0 110.789 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.83 158.19 31.0 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 124.866 1.267 . . . . 0.0 111.229 -178.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -54.71 -45.29 74.0 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 113.134 0.791 . . . . 0.0 113.134 -178.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -61.21 -49.18 78.2 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 112.805 0.668 . . . . 0.0 112.805 -178.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -58.93 -47.01 86.58 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 125.853 1.661 . . . . 0.0 109.237 -179.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 73.3 t -66.58 -52.13 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 124.592 1.157 . . . . 0.0 111.694 -179.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.2 ttpt -54.88 -39.75 69.03 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.9 tpt180 -68.69 -45.64 71.12 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.47 -42.1 91.26 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.204 0.602 . . . . 0.0 111.929 -179.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.55 -36.49 83.96 Favored 'General case' 0 C--N 1.342 0.247 0 CA-C-O 117.254 -1.355 . . . . 0.0 110.981 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -61.56 -53.31 57.98 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 120.616 1.553 . . . . 0.0 109.096 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 61.0 mt -56.94 -43.77 81.25 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 C-N-CA 125.083 1.353 . . . . 0.0 108.337 -179.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.22 6.6 3.4 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 127.611 2.364 . . . . 0.0 114.274 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.404 ' HG3' HG22 ' B' ' 39' ' ' VAL . 5.2 mm100 55.55 41.92 30.22 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 120.065 1.302 . . . . 0.0 110.047 -178.471 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 57.3 t30 51.42 62.85 2.5 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 128.214 2.606 . . . . 0.0 110.95 -179.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -139.58 113.04 8.37 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 124.849 1.26 . . . . 0.0 110.193 178.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.8 t -56.78 -42.24 77.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 C-N-CA 124.754 1.222 . . . . 0.0 110.159 179.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -55.16 -28.27 51.59 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 125.466 1.506 . . . . 0.0 111.518 -178.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.546 HG11 HG11 ' B' ' 39' ' ' VAL . 37.0 t -99.86 -41.44 9.42 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 CA-C-O 118.637 -0.697 . . . . 0.0 109.536 178.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.52 -31.69 36.72 Favored 'General case' 0 C--N 1.342 0.282 0 C-N-CA 123.637 0.775 . . . . 0.0 111.242 179.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 55.4 mtt180 -57.01 -53.9 52.78 Favored 'General case' 0 C--N 1.341 0.199 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 177.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.5 m -60.1 -34.71 73.85 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.048 0.539 . . . . 0.0 111.889 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 79.5 mt -67.54 -52.7 38.49 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 C-N-CA 123.904 0.882 . . . . 0.0 108.949 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 56.1 mt -61.32 -30.12 70.3 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.36 0.664 . . . . 0.0 110.14 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 57.9 mtp85 -65.44 -20.0 66.18 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.253 0.621 . . . . 0.0 110.911 178.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -99.32 -47.36 5.19 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 119.398 0.999 . . . . 0.0 108.514 177.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -63.74 -20.72 65.97 Favored 'General case' 0 C--N 1.343 0.308 0 CA-C-O 118.168 -0.92 . . . . 0.0 112.889 -179.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.7 t -132.11 -62.33 0.85 Allowed 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 120.218 1.372 . . . . 0.0 108.72 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 156.86 -179.27 32.79 Favored Glycine 0 CA--C 1.524 0.617 0 C-N-CA 119.951 -1.119 . . . . 0.0 114.192 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -64.5 -175.25 0.32 Allowed 'Trans proline' 0 CA--C 1.534 0.483 0 C-N-CA 125.169 3.913 . . . . 0.0 111.514 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 34.0 m -116.22 -73.71 0.64 Allowed 'General case' 0 C--O 1.235 0.3 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 67.6 m 56.33 -165.65 0.13 Allowed 'General case' 0 C--O 1.235 0.337 0 C-N-CA 123.875 0.87 . . . . 0.0 110.986 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.111 0 N-CA-C 109.312 -1.515 . . . . 0.0 109.312 -178.891 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.732 0 CA-C-O 119.017 -0.88 . . . . 0.0 112.291 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 65.8 m -143.18 91.88 2.32 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.212 1.005 . . . . 0.0 109.599 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.23 -15.85 63.94 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.63 0.772 . . . . 0.0 112.224 179.557 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 51.12 61.62 6.05 Favored Glycine 0 C--N 1.342 0.888 0 C-N-CA 125.827 1.68 . . . . 0.0 111.157 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 10.5 m -127.19 171.92 11.02 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.925 1.69 . . . . 0.0 110.359 -179.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 3.5 t -131.19 178.04 7.0 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.875 0.87 . . . . 0.0 111.639 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.26 -138.52 2.9 Favored Glycine 0 CA--C 1.526 0.721 0 C-N-CA 125.468 1.509 . . . . 0.0 110.008 -179.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 23.9 m-20 -62.23 135.01 57.29 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 118.207 1.004 . . . . 0.0 109.483 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 48.3 t -77.09 -53.98 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 C-N-CA 124.251 1.02 . . . . 0.0 110.158 -179.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -60.77 -25.94 66.88 Favored 'General case' 0 C--N 1.331 -0.213 0 O-C-N 121.276 -0.89 . . . . 0.0 111.147 -179.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.57 -19.28 63.54 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 118.56 0.618 . . . . 0.0 110.755 178.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 30.6 mttp -89.36 -41.83 11.9 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 125.657 1.583 . . . . 0.0 107.558 178.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 73.3 mt -59.44 -52.84 56.22 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.03 -28.65 64.67 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 13.5 tptm -64.74 -65.02 0.73 Allowed 'General case' 0 C--O 1.234 0.239 0 N-CA-C 107.778 -1.194 . . . . 0.0 107.778 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.6 -37.98 83.16 Favored 'General case' 0 C--O 1.225 -0.218 0 C-N-CA 124.302 1.041 . . . . 0.0 111.952 -179.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 81.0 mtp -58.09 -28.21 64.39 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 120.157 1.344 . . . . 0.0 110.176 179.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.26 -14.02 82.28 Favored Glycine 0 CA--C 1.526 0.726 0 O-C-N 121.276 -0.89 . . . . 0.0 112.153 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -80.64 -15.22 57.12 Favored 'General case' 0 C--O 1.228 -0.037 0 CA-C-N 118.749 1.275 . . . . 0.0 111.377 178.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 106.95 52.4 0.74 Allowed Glycine 0 CA--C 1.522 0.521 0 C-N-CA 124.698 1.142 . . . . 0.0 112.86 179.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -136.58 144.78 44.32 Favored 'General case' 0 C--O 1.239 0.53 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 178.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.75 155.95 39.2 Favored 'General case' 0 C--O 1.233 0.2 0 O-C-N 123.776 0.672 . . . . 0.0 110.651 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -55.85 -42.52 75.94 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 121.961 -0.462 . . . . 0.0 110.95 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -66.01 -21.72 66.41 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.75 0.82 . . . . 0.0 113.073 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -87.85 -43.19 12.01 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 123.846 0.859 . . . . 0.0 108.712 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 81.6 t -69.52 -55.79 13.9 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 C-N-CA 125.392 1.477 . . . . 0.0 112.433 -178.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 17.1 ttpt -56.69 -37.55 71.04 Favored 'General case' 0 CA--C 1.523 -0.096 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 27.2 tpt180 -65.53 -46.18 80.6 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.8 -45.79 81.99 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 122.677 0.391 . . . . 0.0 110.368 179.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -62.43 -41.02 98.41 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-O 117.972 -1.014 . . . . 0.0 109.651 179.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -53.94 -54.51 37.91 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.885 1.274 . . . . 0.0 110.248 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 80.2 mt -63.7 -49.55 81.73 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 C-N-CA 126.112 1.765 . . . . 0.0 110.241 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.85 6.87 0.44 Allowed 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 125.746 1.618 . . . . 0.0 114.701 -179.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 57.48 50.16 11.66 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.334 1.054 . . . . 0.0 108.376 -178.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 54.9 t30 48.54 50.99 16.17 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 128.009 2.524 . . . . 0.0 113.393 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 64.9 t-20 -127.71 118.34 23.62 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 120.723 -1.235 . . . . 0.0 109.543 179.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 24.1 t -60.78 -41.17 87.5 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 C-N-CA 125.91 1.684 . . . . 0.0 111.933 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -63.76 -25.55 68.24 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 124.273 1.029 . . . . 0.0 111.896 -178.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.546 HG11 HG11 ' A' ' 39' ' ' VAL . 64.6 t -99.19 -39.41 7.8 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 124.443 1.097 . . . . 0.0 109.958 -178.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.93 -30.02 68.77 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.069 0.948 . . . . 0.0 111.136 179.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 29.6 ttt180 -56.23 -48.76 75.85 Favored 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 178.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 29.7 m -61.55 -32.75 72.84 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 76.5 mt -67.6 -51.88 46.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 19.1 mt -59.65 -37.0 77.51 Favored 'General case' 0 C--O 1.226 -0.159 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 179.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 45.4 mtp85 -65.59 -25.1 67.25 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 118.983 -0.532 . . . . 0.0 111.138 178.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -91.32 -39.94 11.76 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 118.098 -0.953 . . . . 0.0 112.115 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -76.14 -52.42 10.14 Favored 'General case' 0 C--O 1.223 -0.306 0 CA-C-N 119.242 0.928 . . . . 0.0 109.212 178.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.07 -91.6 0.07 Allowed 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 173.39 177.6 42.75 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -72.9 152.5 52.16 Favored 'Trans proline' 0 N--CA 1.451 -0.993 0 C-N-CA 122.547 2.165 . . . . 0.0 110.444 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 4.1 m -54.88 -48.51 72.88 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.919 1.288 . . . . 0.0 114.191 -179.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 56.4 m 64.87 161.91 0.13 Allowed 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 126.124 1.77 . . . . 0.0 111.034 -178.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.912 0 N-CA-C 106.282 -2.727 . . . . 0.0 106.282 -178.334 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.898 0 N-CA-C 110.721 -0.952 . . . . 0.0 110.721 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.8 t -62.58 -43.62 98.34 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 125.657 1.583 . . . . 0.0 113.319 -179.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 m -140.33 120.85 14.15 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -177.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.34 178.33 19.38 Favored Glycine 0 CA--C 1.528 0.906 0 C-N-CA 126.121 1.819 . . . . 0.0 109.392 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 m 54.32 23.34 4.28 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 114.444 1.276 . . . . 0.0 114.444 178.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.8 p -78.62 148.76 33.12 Favored 'General case' 0 C--O 1.235 0.312 0 O-C-N 120.775 -1.203 . . . . 0.0 111.454 -179.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.83 69.85 3.24 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 109.407 -1.477 . . . . 0.0 109.407 179.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.7 m120 -152.14 148.3 27.47 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 124.166 0.986 . . . . 0.0 109.271 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 74.7 t -124.52 -52.41 2.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 C-N-CA 127.235 2.214 . . . . 0.0 105.555 178.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -57.96 -44.75 87.2 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 125.095 1.358 . . . . 0.0 111.447 179.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.4 -16.56 63.74 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.839 -0.538 . . . . 0.0 110.874 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.438 ' HB3' HD11 ' A' ' 30' ' ' LEU . 27.7 mttp -90.41 -34.22 15.72 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 117.84 -1.076 . . . . 0.0 108.474 178.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 45.1 mt -57.59 -57.24 11.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 N-CA-C 106.257 -1.757 . . . . 0.0 106.257 177.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.05 -35.61 64.67 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.639 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.1 tptm -63.11 -58.33 7.6 Favored 'General case' 0 C--O 1.226 -0.14 0 C-N-CA 123.727 0.811 . . . . 0.0 110.118 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.403 ' HB2' HG13 ' A' ' 26' ' ' VAL . 4.3 mm? -64.04 -36.65 84.68 Favored 'General case' 0 CA--C 1.521 -0.158 0 CA-C-O 118.105 -0.95 . . . . 0.0 111.87 -179.19 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 92.1 mtp -56.17 -37.62 69.81 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 119.68 1.127 . . . . 0.0 109.797 179.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.2 -17.64 59.46 Favored Glycine 0 C--N 1.34 0.788 0 C-N-CA 124.773 1.178 . . . . 0.0 113.787 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -79.22 -18.23 53.29 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.984 1.392 . . . . 0.0 110.086 179.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.03 59.26 0.66 Allowed Glycine 0 CA--C 1.527 0.797 0 C-N-CA 125.034 1.302 . . . . 0.0 111.948 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -137.33 159.38 42.09 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 125.296 1.438 . . . . 0.0 108.105 178.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.75 148.78 26.86 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.441 0.564 . . . . 0.0 109.601 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -51.31 -42.52 61.25 Favored 'General case' 0 C--O 1.231 0.089 0 C-N-CA 125.154 1.381 . . . . 0.0 112.389 -179.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -61.62 -31.74 71.84 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -178.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -84.59 -36.85 21.77 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 124.286 1.035 . . . . 0.0 110.095 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.403 HG13 ' HB2' ' A' ' 16' ' ' LEU . 44.7 t -62.7 -46.48 96.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 C-N-CA 124.803 1.241 . . . . 0.0 108.953 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -58.85 -39.6 81.76 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -63.61 -50.49 69.18 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.54 -48.51 74.59 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 123.534 0.733 . . . . 0.0 112.873 -179.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.438 HD11 ' HB3' ' A' ' 12' ' ' LYS . 4.1 mm? -63.96 -41.53 97.55 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-O 118.519 -0.753 . . . . 0.0 112.759 -178.621 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -60.09 -52.0 67.22 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 118.834 0.743 . . . . 0.0 109.483 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 88.2 mt -60.51 -52.25 63.59 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.169 0 C-N-CA 125.148 1.379 . . . . 0.0 111.257 -179.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.6 ' HB2' HD12 ' A' ' 43' ' ' ILE . . . -73.01 8.74 1.43 Allowed 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 115.246 1.573 . . . . 0.0 115.246 -178.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 55.79 57.27 5.34 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 122.859 1.314 . . . . 0.0 110.656 -179.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 40.54 55.26 2.92 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 130.819 3.647 . . . . 0.0 114.753 179.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 56.9 t-20 -126.11 110.78 13.9 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 127.037 2.135 . . . . 0.0 108.252 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 38.1 t -52.08 -42.84 36.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 C-N-CA 125.328 1.451 . . . . 0.0 111.942 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -56.42 -52.11 65.87 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.73 1.212 . . . . 0.0 112.181 -178.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.48 ' HB ' ' HB1' ' A' ' 33' ' ' ALA . 14.7 t -71.87 -39.99 68.17 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 C-N-CA 124.479 1.112 . . . . 0.0 109.847 -179.468 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.55 -36.54 69.4 Favored 'General case' 0 CA--C 1.53 0.203 0 O-C-N 121.481 -0.762 . . . . 0.0 111.482 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.6 mtm180 -61.83 -46.09 91.01 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 178.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 75.0 m -59.59 -34.38 72.66 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 118.91 0.777 . . . . 0.0 111.364 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.6 HD12 ' HB2' ' A' ' 33' ' ' ALA . 58.3 mt -63.92 -50.64 76.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.042 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 14.8 mt -62.15 -24.77 67.37 Favored 'General case' 0 CA--C 1.527 0.085 0 C-N-CA 124.237 1.015 . . . . 0.0 111.333 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 23.0 mmt85 -64.1 -38.56 91.5 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 120.006 1.275 . . . . 0.0 110.529 178.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -76.82 -39.55 50.93 Favored 'General case' 0 C--O 1.235 0.29 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -68.7 -52.91 25.77 Favored 'General case' 0 C--O 1.226 -0.141 0 CA-C-N 118.381 0.537 . . . . 0.0 111.94 -179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.0 t -72.74 -51.0 20.95 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 124.364 1.066 . . . . 0.0 112.78 -178.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 70.78 176.14 21.12 Favored Glycine 0 CA--C 1.542 1.729 0 N-CA-C 109.41 -1.476 . . . . 0.0 109.41 -177.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -75.66 90.0 1.17 Allowed 'Trans proline' 0 N--CA 1.454 -0.814 0 C-N-CA 123.568 2.845 . . . . 0.0 110.581 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.8 p -56.7 -42.98 80.07 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 122.382 1.087 . . . . 0.0 110.04 179.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.1 m -157.94 169.09 25.36 Favored 'General case' 0 C--O 1.239 0.552 0 C-N-CA 127.624 2.37 . . . . 0.0 106.17 178.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.77 0 N-CA-C 109.679 -1.369 . . . . 0.0 109.679 -179.553 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.748 0 N-CA-C 110.584 -1.007 . . . . 0.0 110.584 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 11.9 t -56.23 -47.12 79.09 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.229 1.811 . . . . 0.0 111.339 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 65.9 m -143.78 88.97 2.02 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 123.651 0.781 . . . . 0.0 109.144 179.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.28 173.49 16.51 Favored Glycine 0 CA--C 1.531 1.053 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 178.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 11.0 m 50.75 20.22 0.72 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.162 1.785 . . . . 0.0 115.705 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 4.9 p -70.78 156.89 38.96 Favored 'General case' 0 C--O 1.238 0.477 0 O-C-N 121.175 -0.953 . . . . 0.0 109.567 179.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.28 49.2 0.97 Allowed Glycine 0 CA--C 1.525 0.693 0 C-N-CA 125.626 1.584 . . . . 0.0 113.731 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -125.93 159.68 31.97 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.983 1.313 . . . . 0.0 108.081 178.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 48.7 t -127.26 -55.04 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 C-N-CA 125.369 1.467 . . . . 0.0 107.26 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -57.76 -49.36 76.85 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 124.568 1.147 . . . . 0.0 110.854 179.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.41 -18.33 64.61 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 121.947 -0.471 . . . . 0.0 111.575 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 45.9 mttt -84.18 -42.07 16.35 Favored 'General case' 0 CA--C 1.518 -0.267 0 C-N-CA 123.657 0.783 . . . . 0.0 109.531 179.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 49.7 mt -59.09 -54.7 30.59 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -50.24 -35.16 25.64 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.542 0.941 . . . . 0.0 113.542 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 36.1 tttt -62.01 -56.17 21.82 Favored 'General case' 0 CA--C 1.527 0.058 0 C-N-CA 125.611 1.564 . . . . 0.0 111.233 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -67.08 -36.89 82.97 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-N 118.744 0.702 . . . . 0.0 109.665 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 99.3 mtp -59.19 -33.18 70.65 Favored 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 178.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.08 -27.29 62.27 Favored Glycine 0 CA--C 1.526 0.723 0 CA-C-O 118.833 -0.982 . . . . 0.0 112.803 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -71.87 -21.36 61.67 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 118.697 1.248 . . . . 0.0 110.595 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.81 -8.41 6.45 Favored Glycine 0 CA--C 1.527 0.818 0 CA-C-O 117.911 -1.494 . . . . 0.0 114.245 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -69.28 163.68 24.5 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 119.143 1.471 . . . . 0.0 111.988 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.51 155.53 19.6 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.556 1.543 . . . . 0.0 109.94 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -56.47 -46.69 80.29 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 124.586 1.154 . . . . 0.0 113.651 -179.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -56.8 -45.78 81.99 Favored 'General case' 0 C--O 1.232 0.149 0 N-CA-C 112.516 0.561 . . . . 0.0 112.516 -177.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -63.05 -49.21 75.46 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 126.279 1.832 . . . . 0.0 110.588 -178.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 75.2 t -65.32 -50.85 70.9 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 C-N-CA 124.263 1.025 . . . . 0.0 111.416 -179.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.3 ttpt -55.22 -39.53 69.78 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -67.79 -50.29 57.74 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.41 -43.18 75.05 Favored 'General case' 0 N--CA 1.457 -0.088 0 C-N-CA 124.444 1.097 . . . . 0.0 112.265 -179.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.83 -33.04 73.44 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 117.234 -1.365 . . . . 0.0 110.476 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -69.81 -50.82 39.2 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 120.807 1.64 . . . . 0.0 109.593 179.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 65.4 mt -55.57 -39.39 54.05 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.513 0 C-N-CA 123.845 0.858 . . . . 0.0 109.6 -179.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -78.17 3.56 14.86 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 127.541 2.337 . . . . 0.0 113.871 179.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 54.96 55.74 7.41 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.757 1.223 . . . . 0.0 108.096 -177.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 29.6 m120 44.51 54.9 6.11 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 130.711 3.605 . . . . 0.0 111.031 -179.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 56.7 t-20 -127.7 121.19 29.73 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 123.869 0.868 . . . . 0.0 110.467 -179.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 23.9 t -65.09 -44.32 95.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 C-N-CA 124.242 1.017 . . . . 0.0 111.398 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -56.63 -42.14 78.34 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 123.955 0.902 . . . . 0.0 110.312 -178.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.554 HG13 ' HA ' ' A' ' 33' ' ' ALA . 61.4 t -80.3 -40.08 19.6 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 C-N-CA 122.638 0.375 . . . . 0.0 111.345 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.73 -30.1 55.27 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 119.167 0.894 . . . . 0.0 111.332 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 42.7 mtt-85 -53.03 -59.43 4.55 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.229 1.011 . . . . 0.0 109.727 178.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 3.5 m -60.39 -32.82 71.68 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.135 0.974 . . . . 0.0 112.892 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 66.8 mt -66.89 -53.53 33.53 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-N 119.256 0.935 . . . . 0.0 108.595 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 19.8 mt -58.68 -32.1 68.82 Favored 'General case' 0 C--O 1.232 0.164 0 C-N-CA 122.719 0.408 . . . . 0.0 110.506 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -66.24 -20.34 66.09 Favored 'General case' 0 C--N 1.339 0.149 0 CA-C-O 118.009 -0.996 . . . . 0.0 111.603 179.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -92.07 -45.43 8.3 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 120.447 1.476 . . . . 0.0 110.426 178.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -68.18 -30.14 69.17 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 123.688 0.617 . . . . 0.0 112.149 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 32.7 t -105.68 -59.34 1.78 Allowed 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.989 0.916 . . . . 0.0 110.998 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 75.5 -172.95 53.55 Favored Glycine 0 CA--C 1.534 1.255 0 N-CA-C 111.421 -0.672 . . . . 0.0 111.421 -179.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -74.61 110.06 3.03 Favored 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 123.515 2.81 . . . . 0.0 110.921 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 19.3 p -87.54 -27.01 22.86 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.719 0.808 . . . . 0.0 111.399 179.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 4.9 m -154.16 132.79 12.16 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 127.005 2.122 . . . . 0.0 106.976 179.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.946 0 N-CA-C 104.886 -3.285 . . . . 0.0 104.886 -179.39 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.605 0 N-CA-C 110.06 -1.216 . . . . 0.0 110.06 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 p -173.25 127.62 0.44 Allowed 'General case' 0 C--O 1.235 0.305 0 C-N-CA 127.427 2.291 . . . . 0.0 106.767 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.0 m -135.83 -8.1 2.12 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 114.004 1.113 . . . . 0.0 114.004 -179.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.77 179.26 47.03 Favored Glycine 0 C--N 1.335 0.473 0 CA-C-N 120.367 1.439 . . . . 0.0 110.177 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.8 p -75.95 154.9 35.57 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 117.229 0.515 . . . . 0.0 110.422 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.2 p -156.82 28.05 0.32 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.269 1.827 . . . . 0.0 109.444 179.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.7 -153.79 46.23 Favored Glycine 0 C--N 1.338 0.646 0 N-CA-C 109.617 -1.393 . . . . 0.0 109.617 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 62.8 161.01 0.09 Allowed 'General case' 0 C--O 1.234 0.267 0 C-N-CA 128.325 2.65 . . . . 0.0 112.857 179.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.3 t -146.92 -55.22 0.1 OUTLIER 'Isoleucine or valine' 0 C--O 1.225 -0.235 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -57.27 -46.63 82.91 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 118.719 0.69 . . . . 0.0 111.248 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.13 -16.27 51.4 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 118.892 0.769 . . . . 0.0 112.778 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 72.5 mttt -91.36 -43.46 9.75 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 107.599 -1.259 . . . . 0.0 107.599 179.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 52.5 mt -59.14 -51.75 68.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 N-CA-C 106.901 -1.518 . . . . 0.0 106.901 178.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.66 -44.72 66.38 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 178.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 36.6 tttp -58.47 -57.63 12.08 Favored 'General case' 0 C--N 1.34 0.156 0 CA-C-O 118.03 -0.986 . . . . 0.0 111.223 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -58.87 -38.63 79.24 Favored 'General case' 0 C--N 1.343 0.286 0 CA-C-N 119.657 1.117 . . . . 0.0 110.898 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 80.1 mtp -58.09 -33.45 69.11 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 119.34 0.973 . . . . 0.0 109.412 179.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.19 -16.39 73.07 Favored Glycine 0 CA--C 1.533 1.164 0 C-N-CA 125.148 1.356 . . . . 0.0 112.502 178.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.2 mm-40 -79.72 -20.09 47.27 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-N 119.25 1.525 . . . . 0.0 109.166 178.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.88 55.68 0.44 Allowed Glycine 0 C--N 1.337 0.629 0 C-N-CA 125.576 1.56 . . . . 0.0 112.106 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -139.49 150.57 45.31 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 118.391 1.095 . . . . 0.0 108.068 178.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.37 155.92 24.48 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 121.616 0.722 . . . . 0.0 111.0 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -55.86 -39.12 71.04 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.922 1.289 . . . . 0.0 113.331 -179.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -67.97 -20.16 65.02 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 122.953 0.501 . . . . 0.0 112.099 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -91.78 -46.49 7.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 122.573 1.178 . . . . 0.0 109.074 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 89.0 t -65.08 -53.34 42.24 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 C-N-CA 125.676 1.591 . . . . 0.0 113.321 -177.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -55.58 -38.14 68.99 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 118.217 0.462 . . . . 0.0 110.106 -179.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.8 tpt180 -62.87 -50.7 69.86 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 179.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.62 -41.19 85.36 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 118.077 0.399 . . . . 0.0 111.728 179.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -67.21 -32.6 73.76 Favored 'General case' 0 C--N 1.341 0.225 0 O-C-N 121.023 -1.048 . . . . 0.0 110.99 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -65.05 -52.92 53.03 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 178.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 66.8 mt -58.28 -51.58 69.47 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 124.527 1.131 . . . . 0.0 109.586 -179.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.77 6.22 0.52 Allowed 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.519 1.928 . . . . 0.0 115.61 -179.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 54.82 31.38 15.5 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 120.332 1.424 . . . . 0.0 109.996 -177.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.2 m120 71.65 22.33 4.08 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 130.733 3.613 . . . . 0.0 115.911 179.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 -92.08 118.6 30.97 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 120.446 1.476 . . . . 0.0 107.692 178.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 25.6 t -61.82 -42.88 96.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 O-C-N 121.194 -0.941 . . . . 0.0 111.149 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -53.08 -39.56 63.41 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 123.955 0.902 . . . . 0.0 110.947 -177.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.438 HG11 HG11 ' B' ' 39' ' ' VAL . 60.7 t -80.59 -45.51 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.575 0 C-N-CA 126.832 2.053 . . . . 0.0 110.43 -179.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.4 -28.82 60.44 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.568 0.747 . . . . 0.0 111.934 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -59.68 -50.02 75.46 Favored 'General case' 0 C--O 1.227 -0.11 0 CA-C-O 118.955 -0.545 . . . . 0.0 110.06 178.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.2 m -56.67 -41.77 77.83 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.373 0.669 . . . . 0.0 111.868 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 69.2 mt -57.33 -56.97 12.01 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 N-CA-C 108.05 -1.092 . . . . 0.0 108.05 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 40.0 mt -59.34 -32.67 70.31 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 118.43 -0.795 . . . . 0.0 111.854 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 32.1 mtm180 -68.08 -28.35 67.28 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 119.556 1.071 . . . . 0.0 112.255 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -94.99 -29.35 14.67 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 118.954 0.797 . . . . 0.0 111.736 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -69.74 -49.62 51.44 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 105.194 -2.15 . . . . 0.0 105.194 176.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.4 t -88.84 -123.17 0.05 Allowed 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 104.51 -2.404 . . . . 0.0 104.51 177.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -148.04 166.78 28.92 Favored Glycine 0 CA--C 1.529 0.93 0 N-CA-C 110.362 -1.095 . . . . 0.0 110.362 179.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -70.59 117.97 5.43 Favored 'Trans proline' 0 N--CA 1.452 -0.917 0 C-N-CA 123.029 2.486 . . . . 0.0 109.283 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.1 t -140.31 -166.34 2.09 Favored 'General case' 0 C--O 1.239 0.509 0 C-N-CA 126.117 1.767 . . . . 0.0 107.648 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.54 165.15 36.77 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 125.439 1.496 . . . . 0.0 107.835 178.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.656 0 N-CA-C 106.894 -2.483 . . . . 0.0 106.894 179.519 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.685 0 CA-C-O 119.563 -0.576 . . . . 0.0 113.42 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.4 p -161.68 167.51 25.0 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 118.867 1.333 . . . . 0.0 109.542 179.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.3 p -158.7 -93.13 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.81 -168.01 33.55 Favored Glycine 0 CA--C 1.527 0.807 0 N-CA-C 108.758 -1.737 . . . . 0.0 108.758 178.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 60.5 p -88.48 -170.69 3.04 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.181 0.993 . . . . 0.0 109.314 178.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 10.8 p -170.88 -41.34 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.398 0 O-C-N 121.112 -0.993 . . . . 0.0 112.083 179.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.27 -174.8 18.31 Favored Glycine 0 CA--C 1.524 0.607 0 C-N-CA 125.614 1.578 . . . . 0.0 110.909 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 77.79 130.27 0.05 OUTLIER 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 128.115 2.566 . . . . 0.0 107.871 -178.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 8.8 t -104.68 -37.95 4.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 O-C-N 120.936 -1.102 . . . . 0.0 110.209 -178.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -60.83 -47.69 85.21 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 123.943 0.897 . . . . 0.0 112.717 -179.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.36 -20.12 58.22 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.425 0.69 . . . . 0.0 111.527 179.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 48.7 mttp -89.36 -44.27 10.33 Favored 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 44.4 mt -54.55 -53.2 33.3 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.084 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.24 -21.9 64.31 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 179.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 38.8 tttp -77.41 -54.65 6.19 Favored 'General case' 0 C--N 1.34 0.195 0 O-C-N 120.645 -1.285 . . . . 0.0 108.522 178.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -63.14 -40.41 97.49 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 119.648 1.113 . . . . 0.0 109.531 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 92.2 mtp -62.87 -30.03 71.21 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 178.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.65 -34.23 85.45 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 109.748 -1.341 . . . . 0.0 109.748 179.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -66.17 -49.24 68.05 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 105.122 -2.177 . . . . 0.0 105.122 177.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 151.98 -7.12 0.55 Allowed Glycine 0 C--N 1.343 0.931 0 CA-C-O 117.287 -1.84 . . . . 0.0 117.434 178.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -68.86 150.16 48.1 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 120.704 2.252 . . . . 0.0 112.157 -178.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.75 155.97 39.73 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 125.345 1.458 . . . . 0.0 112.506 -179.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -56.91 -41.29 77.87 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.004 0.521 . . . . 0.0 112.049 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.8 -31.47 71.69 Favored 'General case' 0 C--N 1.332 -0.181 0 C-N-CA 123.852 0.861 . . . . 0.0 111.853 -179.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -84.45 -45.47 12.65 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 123.698 0.799 . . . . 0.0 111.311 -179.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 80.3 t -60.51 -61.03 1.72 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 C-N-CA 125.621 1.568 . . . . 0.0 112.933 -177.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 12.2 tttt -56.16 -35.45 67.19 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 118.762 0.71 . . . . 0.0 111.093 -178.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -64.25 -53.11 54.25 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 106.91 -1.515 . . . . 0.0 106.91 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.18 -43.11 82.3 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.122 0.569 . . . . 0.0 111.143 179.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.27 -28.03 68.4 Favored 'General case' 0 N--CA 1.464 0.238 0 O-C-N 121.316 -0.865 . . . . 0.0 111.519 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -71.48 -55.47 7.82 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 107.394 -1.335 . . . . 0.0 107.394 178.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 28.1 mt -54.06 -46.77 66.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 C-N-CA 125.971 1.708 . . . . 0.0 110.04 -179.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.35 7.03 2.48 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.559 1.944 . . . . 0.0 115.289 -179.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 51.74 40.35 27.36 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 120.928 1.695 . . . . 0.0 108.165 -176.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 7.3 m120 66.59 9.31 6.5 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 129.559 3.143 . . . . 0.0 114.545 -179.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -76.93 117.24 18.32 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 121.822 2.101 . . . . 0.0 111.041 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 52.0 t -58.53 -42.81 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 C-N-CA 124.695 1.198 . . . . 0.0 111.453 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -65.21 -26.51 68.16 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -177.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.438 HG11 HG11 ' A' ' 39' ' ' VAL . 86.9 t -86.24 -44.16 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 N-CA-C 106.614 -1.624 . . . . 0.0 106.614 178.365 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.12 -35.89 49.57 Favored 'General case' 0 C--N 1.343 0.318 0 C-N-CA 123.971 0.908 . . . . 0.0 110.81 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 30.9 mtt85 -55.58 -53.16 59.9 Favored 'General case' 0 C--N 1.341 0.226 0 CA-C-N 118.655 0.661 . . . . 0.0 110.084 178.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 11.9 m -57.27 -29.1 63.57 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 125.068 1.347 . . . . 0.0 113.484 -179.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 71.8 mt -76.25 -51.85 18.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 C-N-CA 124.782 1.233 . . . . 0.0 107.846 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 59.6 mt -61.4 -32.38 72.32 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.426 0.691 . . . . 0.0 110.424 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 16.1 mtm180 -63.67 -34.69 78.41 Favored 'General case' 0 C--N 1.343 0.307 0 CA-C-O 118.822 -0.609 . . . . 0.0 110.546 179.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -84.67 -43.16 14.62 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 119.677 1.126 . . . . 0.0 109.952 179.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -66.36 -52.14 49.98 Favored 'General case' 0 CA--C 1.534 0.349 0 N-CA-C 115.259 1.577 . . . . 0.0 115.259 -179.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 33.4 t -104.27 -1.68 26.7 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -178.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 108.97 144.52 10.79 Favored Glycine 0 CA--C 1.532 1.15 0 CA-C-N 119.508 1.049 . . . . 0.0 110.849 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -76.05 60.94 6.34 Favored 'Trans proline' 0 CA--C 1.536 0.621 1 C-N-CA 125.387 4.058 . . . . 0.0 114.975 -177.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 8.3 t -71.89 174.55 6.79 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-O 121.765 0.793 . . . . 0.0 110.64 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 5.2 t -125.21 -179.61 4.66 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 126.468 1.907 . . . . 0.0 108.586 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.857 0 N-CA-C 108.976 -1.65 . . . . 0.0 108.976 -179.805 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.563 0 N-CA-C 108.574 -1.81 . . . . 0.0 108.574 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 p -154.33 178.08 10.42 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 125.964 1.706 . . . . 0.0 108.908 -179.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -140.06 -27.42 0.76 Allowed 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 124.619 1.168 . . . . 0.0 111.934 -179.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.36 -144.87 5.36 Favored Glycine 0 C--N 1.34 0.778 0 CA-C-N 120.224 1.374 . . . . 0.0 111.94 -179.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 p -149.73 118.18 6.49 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 127.413 2.285 . . . . 0.0 105.84 179.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.6 m -66.92 155.3 38.85 Favored 'General case' 0 N--CA 1.451 -0.408 0 O-C-N 123.294 0.371 . . . . 0.0 111.611 -179.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.6 -167.77 42.42 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 109.668 -1.373 . . . . 0.0 109.668 178.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.2 m120 63.29 165.48 0.12 Allowed 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 128.442 2.697 . . . . 0.0 112.689 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.8 t -137.3 -44.36 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.209 0 C-N-CA 125.041 1.336 . . . . 0.0 108.725 179.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -59.39 -42.66 92.24 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 -179.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.35 -34.4 77.24 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 121.839 -0.538 . . . . 0.0 110.527 178.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 45.5 mttt -68.49 -41.52 79.95 Favored 'General case' 0 C--O 1.224 -0.239 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 178.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 36.4 mt -57.78 -53.33 46.38 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.302 0 N-CA-C 105.676 -1.972 . . . . 0.0 105.676 178.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.57 -35.43 65.76 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 122.452 0.301 . . . . 0.0 111.652 178.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.5 tptp -61.52 -52.38 64.71 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.064 0.946 . . . . 0.0 109.0 178.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -72.92 -35.65 67.09 Favored 'General case' 0 C--O 1.225 -0.193 0 CA-C-N 119.411 1.005 . . . . 0.0 111.999 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 83.2 mtp -58.75 -35.79 73.3 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 119.893 1.224 . . . . 0.0 107.984 178.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -63.62 -18.54 61.58 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 125.095 1.331 . . . . 0.0 112.7 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -72.12 -35.62 69.19 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-N 119.48 1.64 . . . . 0.0 108.201 178.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 122.84 58.57 0.2 Allowed Glycine 0 CA--C 1.525 0.686 0 C-N-CA 125.017 1.294 . . . . 0.0 111.976 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -137.13 160.3 39.37 Favored 'General case' 0 C--O 1.241 0.652 0 C-N-CA 125.363 1.465 . . . . 0.0 109.197 178.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.16 157.49 25.26 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.987 0.915 . . . . 0.0 110.025 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -55.98 -43.62 77.76 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.474 1.11 . . . . 0.0 113.237 -178.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -56.83 -49.49 75.26 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 118.889 0.768 . . . . 0.0 112.072 -178.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -59.34 -48.46 81.55 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 126.028 1.731 . . . . 0.0 110.709 -178.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 87.9 t -62.76 -46.35 96.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 123.851 0.86 . . . . 0.0 110.566 -179.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.33 -37.38 83.05 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 118.949 -0.548 . . . . 0.0 109.627 -179.749 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.11 -54.19 47.7 Favored 'General case' 0 C--N 1.34 0.186 0 C-N-CA 125.204 1.402 . . . . 0.0 107.377 179.029 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.31 -49.13 72.97 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 124.629 1.171 . . . . 0.0 110.982 -179.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.91 -36.02 83.03 Favored 'General case' 0 C--N 1.34 0.183 0 CA-C-N 119.759 1.163 . . . . 0.0 111.924 -179.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -63.27 -56.25 18.04 Favored 'General case' 0 C--O 1.241 0.611 0 CA-C-N 119.871 1.214 . . . . 0.0 109.454 179.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 77.4 mt -57.21 -50.41 76.71 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 C-N-CA 125.363 1.465 . . . . 0.0 108.447 -179.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.97 4.7 0.41 Allowed 'General case' 0 C--O 1.234 0.268 0 C-N-CA 126.646 1.978 . . . . 0.0 114.837 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.451 ' CG ' HG22 ' B' ' 39' ' ' VAL . 15.2 mm-40 53.48 43.38 31.36 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 120.549 1.522 . . . . 0.0 108.471 -178.492 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 12.3 m120 58.17 27.04 14.49 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 128.742 2.817 . . . . 0.0 114.329 179.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 64.1 t-20 -99.56 118.78 36.87 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 120.323 1.419 . . . . 0.0 110.449 179.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 16.1 t -57.57 -44.28 84.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 C-N-CA 124.862 1.265 . . . . 0.0 110.171 179.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -60.05 -22.92 63.29 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 124.712 1.205 . . . . 0.0 113.933 -178.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.676 HG11 HG11 ' B' ' 39' ' ' VAL . 59.3 t -99.41 -40.92 9.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 179.196 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.09 -34.6 57.33 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.802 0.841 . . . . 0.0 111.9 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 37.8 ttt-85 -56.21 -52.2 65.29 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.028 0.531 . . . . 0.0 110.188 179.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 45.5 m -64.27 -31.02 72.06 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.231 0.612 . . . . 0.0 111.865 179.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 74.1 mt -68.36 -48.59 72.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-N 119.442 1.019 . . . . 0.0 108.561 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 23.6 mt -58.46 -32.06 68.39 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.277 0.631 . . . . 0.0 110.459 179.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.9 mmt85 -66.0 -21.49 66.41 Favored 'General case' 0 N--CA 1.461 0.11 0 C-N-CA 123.589 0.755 . . . . 0.0 111.91 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -100.34 -39.4 8.02 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 117.434 -1.269 . . . . 0.0 110.375 179.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -64.91 -51.83 59.8 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 178.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.6 t -82.48 -14.93 54.2 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.232 0.613 . . . . 0.0 110.878 178.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 81.03 -178.59 53.97 Favored Glycine 0 CA--C 1.536 1.383 0 O-C-N 121.132 -0.98 . . . . 0.0 112.1 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -73.2 116.37 4.68 Favored 'Trans proline' 0 N--CA 1.456 -0.724 0 C-N-CA 124.05 3.166 . . . . 0.0 109.545 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.1 p -69.46 149.85 47.84 Favored 'General case' 0 C--O 1.242 0.694 0 CA-C-O 120.847 0.356 . . . . 0.0 110.208 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 61.9 m -151.02 179.68 8.05 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.973 1.709 . . . . 0.0 110.422 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.318 0 CA-C-O 118.678 -1.068 . . . . 0.0 110.631 -179.85 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.6 0 N-CA-C 111.822 -0.511 . . . . 0.0 111.822 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 19.0 p -147.2 162.46 38.84 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 125.623 1.569 . . . . 0.0 110.011 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.1 t -151.47 -7.57 0.24 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.485 1.114 . . . . 0.0 112.225 179.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.48 -146.36 18.08 Favored Glycine 0 C--N 1.335 0.492 0 N-CA-C 106.868 -2.493 . . . . 0.0 106.868 -179.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 1.8 p -145.38 148.68 33.62 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 118.974 1.387 . . . . 0.0 111.486 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 17.1 m -74.32 133.66 42.55 Favored 'General case' 0 C--O 1.237 0.43 0 N-CA-C 107.149 -1.426 . . . . 0.0 107.149 178.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -77.63 -167.86 30.04 Favored Glycine 0 CA--C 1.528 0.845 0 C-N-CA 123.832 0.729 . . . . 0.0 112.292 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 t30 67.06 168.76 0.24 Allowed 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 128.874 2.869 . . . . 0.0 113.393 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 6.6 t -139.04 -47.67 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 C-N-CA 123.749 0.82 . . . . 0.0 110.767 -179.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -55.16 -45.29 75.71 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.408 -0.807 . . . . 0.0 111.575 -179.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.27 -34.93 79.51 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 121.762 -0.586 . . . . 0.0 110.537 178.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 52.1 mttt -64.96 -42.11 94.88 Favored 'General case' 0 C--O 1.225 -0.224 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 178.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 58.2 mt -55.51 -54.18 28.34 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 N-CA-C 107.435 -1.321 . . . . 0.0 107.435 178.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.12 -37.44 71.97 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-O 119.618 -0.23 . . . . 0.0 110.83 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 15.0 tptp -60.96 -56.37 21.87 Favored 'General case' 0 C--N 1.341 0.199 0 C-N-CA 123.823 0.849 . . . . 0.0 109.401 179.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -61.09 -41.87 97.45 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 117.831 -1.081 . . . . 0.0 111.167 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 92.0 mtp -55.58 -36.3 66.72 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 120.002 1.273 . . . . 0.0 110.118 179.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.16 -23.83 62.43 Favored Glycine 0 C--N 1.339 0.743 0 C-N-CA 124.041 0.829 . . . . 0.0 112.822 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -73.73 -6.68 48.38 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.149 1.475 . . . . 0.0 110.011 178.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.42 60.13 1.01 Allowed Glycine 0 C--N 1.339 0.747 0 C-N-CA 127.01 2.243 . . . . 0.0 112.109 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -138.33 152.66 48.69 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 118.063 0.932 . . . . 0.0 109.349 178.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.18 153.62 29.9 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 123.097 0.559 . . . . 0.0 109.595 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -54.58 -42.92 71.62 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 -178.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -64.48 -37.59 88.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 119.37 0.986 . . . . 0.0 112.212 -178.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -68.74 -46.77 68.01 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 179.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 73.9 t -59.43 -49.17 84.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 124.874 1.27 . . . . 0.0 111.668 -179.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -56.59 -39.74 74.07 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.15 -52.07 65.31 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 179.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.43 -48.97 71.05 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 124.137 0.975 . . . . 0.0 110.83 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -61.7 -41.31 97.41 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 119.533 1.061 . . . . 0.0 110.53 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -62.4 -58.12 8.79 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 118.982 0.81 . . . . 0.0 110.522 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 75.1 mt -57.43 -46.96 85.74 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 C-N-CA 125.106 1.363 . . . . 0.0 110.084 -179.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.494 ' HB2' HD12 ' B' ' 43' ' ' ILE . . . -75.64 16.7 0.35 Allowed 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 -179.542 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 50.96 42.54 28.4 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.824 1.193 . . . . 0.0 111.253 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 8.2 m120 58.02 15.28 3.08 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 129.087 2.955 . . . . 0.0 114.33 -179.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 57.8 t-20 -85.17 108.38 17.68 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.261 1.425 . . . . 0.0 108.061 177.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 37.1 t -52.43 -40.83 33.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 CA-C-N 119.968 1.258 . . . . 0.0 111.502 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -52.37 -31.12 32.22 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 125.19 1.396 . . . . 0.0 113.651 -178.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.676 HG11 HG11 ' A' ' 39' ' ' VAL . 64.1 t -99.7 -35.02 4.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 C-N-CA 123.784 0.834 . . . . 0.0 111.292 -179.184 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.81 -37.68 63.79 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 119.0 0.818 . . . . 0.0 110.215 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -55.59 -48.52 74.7 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.297 1.039 . . . . 0.0 110.702 179.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 13.1 m -70.56 -27.64 64.28 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.375 1.07 . . . . 0.0 112.094 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.494 HD12 ' HB2' ' B' ' 33' ' ' ALA . 81.5 mt -70.58 -47.58 63.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 178.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 17.0 mt -59.75 -29.71 68.34 Favored 'General case' 0 CA--C 1.527 0.079 0 C-N-CA 123.48 0.712 . . . . 0.0 110.832 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -62.06 -29.91 70.62 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 122.937 0.495 . . . . 0.0 111.775 179.101 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -91.61 -43.63 9.52 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -63.63 -52.87 58.94 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 119.243 0.929 . . . . 0.0 111.525 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 9.4 t -75.99 -22.72 55.55 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.602 0.761 . . . . 0.0 110.51 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 84.93 -179.2 51.14 Favored Glycine 0 CA--C 1.532 1.122 0 C-N-CA 124.149 0.88 . . . . 0.0 112.42 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -71.45 107.39 2.14 Favored 'Trans proline' 0 N--CA 1.451 -0.975 0 C-N-CA 123.233 2.622 . . . . 0.0 109.562 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.37 115.57 4.31 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 107.557 -1.275 . . . . 0.0 107.557 179.055 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 19.0 m -129.6 76.66 1.74 Allowed 'General case' 0 C--O 1.238 0.494 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 -179.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.192 0 N-CA-C 107.646 -2.182 . . . . 0.0 107.646 179.433 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.768 0 N-CA-C 110.014 -1.234 . . . . 0.0 110.014 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 m -68.18 -22.87 64.81 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 117.778 0.789 . . . . 0.0 112.767 -179.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.2 m -135.05 174.06 11.03 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 124.604 1.162 . . . . 0.0 110.903 -178.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.0 60.5 0.36 Allowed Glycine 0 CA--C 1.525 0.666 0 C-N-CA 125.428 1.49 . . . . 0.0 110.643 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.7 m -142.09 165.49 27.29 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 126.707 2.003 . . . . 0.0 107.178 178.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.0 p -174.27 -170.97 0.56 Allowed 'General case' 0 C--O 1.233 0.231 0 C-N-CA 124.694 1.198 . . . . 0.0 108.384 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.45 21.63 32.41 Favored Glycine 0 CA--C 1.528 0.899 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 177.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.4 m120 -130.22 142.81 50.54 Favored 'General case' 0 C--N 1.345 0.411 0 CA-C-N 119.598 1.699 . . . . 0.0 112.363 -178.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.5 p -123.28 -54.3 2.7 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 125.392 1.477 . . . . 0.0 110.565 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -53.81 -37.0 63.1 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 124.742 1.217 . . . . 0.0 113.269 -178.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.78 -33.54 74.27 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 122.804 0.442 . . . . 0.0 110.327 179.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 51.7 mttp -74.31 -37.13 63.71 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 123.844 0.858 . . . . 0.0 109.537 179.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 92.6 mt -59.64 -51.25 74.98 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 N-CA-C 106.475 -1.676 . . . . 0.0 106.475 178.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.72 -38.65 75.64 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 118.059 0.391 . . . . 0.0 110.924 179.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.0 tptp -61.23 -57.61 11.72 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.986 0.914 . . . . 0.0 110.684 179.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.71 -37.54 82.04 Favored 'General case' 0 C--N 1.339 0.147 0 CA-C-N 118.973 0.806 . . . . 0.0 110.79 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 52.2 mmm -57.94 -28.21 64.1 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 118.309 0.504 . . . . 0.0 110.842 178.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.58 -17.25 79.02 Favored Glycine 0 CA--C 1.529 0.965 0 C-N-CA 124.121 0.867 . . . . 0.0 112.899 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -78.26 -26.0 47.04 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 118.849 1.324 . . . . 0.0 110.651 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 119.86 50.65 0.29 Allowed Glycine 0 C--N 1.336 0.583 0 C-N-CA 123.916 0.769 . . . . 0.0 113.814 179.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -132.39 155.23 48.83 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 123.907 0.883 . . . . 0.0 109.85 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.57 154.82 30.03 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 121.543 0.687 . . . . 0.0 111.232 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -54.84 -40.83 70.02 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 124.971 1.308 . . . . 0.0 114.126 -177.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -62.04 -55.2 31.59 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-O 121.458 0.647 . . . . 0.0 109.335 -179.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -56.25 -45.22 80.14 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 126.816 2.046 . . . . 0.0 111.487 -179.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.5 t -65.26 -57.05 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 C-N-CA 124.151 0.98 . . . . 0.0 110.877 -179.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -55.69 -38.19 69.33 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -62.48 -51.74 66.27 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.67 -38.12 77.48 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 111.87 0.322 . . . . 0.0 111.87 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -64.38 -43.57 94.05 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 117.492 -1.242 . . . . 0.0 110.132 179.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.93 -43.54 98.62 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 119.762 1.165 . . . . 0.0 110.572 179.645 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 86.0 mt -63.14 -49.58 82.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.68 8.47 0.86 Allowed 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 54.6 47.05 23.51 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.686 1.13 . . . . 0.0 108.566 -177.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 47.78 59.29 4.28 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 128.846 2.858 . . . . 0.0 113.197 179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -128.52 130.02 46.86 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 125.627 1.571 . . . . 0.0 107.186 179.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.8 t -66.95 -54.17 27.3 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.157 0 C-N-CA 124.085 0.954 . . . . 0.0 113.06 -178.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -53.39 -48.57 68.53 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 122.383 1.087 . . . . 0.0 110.866 -178.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.578 HG11 HG11 ' B' ' 39' ' ' VAL . 25.1 t -68.57 -43.63 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.815 0 C-N-CA 123.97 0.908 . . . . 0.0 108.988 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.1 -35.67 77.64 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 119.99 1.268 . . . . 0.0 111.404 179.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 56.1 mtt85 -60.07 -45.78 91.73 Favored 'General case' 0 C--O 1.219 -0.547 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 178.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.6 m -52.72 -36.05 56.89 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.595 0.758 . . . . 0.0 112.391 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 97.2 mt -70.68 -55.77 13.13 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 C-N-CA 124.33 1.052 . . . . 0.0 108.776 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 24.7 mt -60.56 -31.4 70.52 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.168 0.587 . . . . 0.0 111.234 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.4 mtp85 -63.78 -29.35 70.57 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 125.37 1.468 . . . . 0.0 110.072 178.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -91.98 -44.73 8.71 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.56 1.144 . . . . 0.0 110.946 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 24.3 m-85 -63.43 -47.55 81.44 Favored 'General case' 0 C--N 1.34 0.176 0 CA-C-N 118.831 0.741 . . . . 0.0 110.547 -179.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.4 t -79.24 -72.78 0.37 Allowed 'General case' 0 N--CA 1.452 -0.353 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 130.61 -167.85 21.94 Favored Glycine 0 CA--C 1.533 1.182 0 N-CA-C 108.024 -2.03 . . . . 0.0 108.024 -178.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -62.26 165.22 15.44 Favored 'Trans proline' 0 CA--C 1.543 0.926 0 C-N-CA 123.069 2.512 . . . . 0.0 111.529 178.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.5 m -139.69 151.87 46.24 Favored 'General case' 0 C--O 1.238 0.496 0 C-N-CA 124.844 1.258 . . . . 0.0 107.745 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.7 p -145.93 146.73 31.17 Favored 'General case' 0 C--O 1.233 0.196 0 O-C-N 120.854 -1.154 . . . . 0.0 112.02 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 N-CA-C 103.709 -3.757 . . . . 0.0 103.709 -179.194 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.996 0 N-CA-C 109.815 -1.314 . . . . 0.0 109.815 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 44.6 m -144.09 -73.71 0.26 Allowed 'General case' 0 C--O 1.232 0.183 0 C-N-CA 123.957 0.903 . . . . 0.0 109.456 -178.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 57.0 m -73.38 174.22 8.46 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.632 1.173 . . . . 0.0 111.488 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.15 45.43 0.99 Allowed Glycine 0 CA--C 1.529 0.958 0 C-N-CA 125.717 1.627 . . . . 0.0 110.364 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m -135.52 148.86 49.31 Favored 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 125.462 1.505 . . . . 0.0 111.8 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 88.2 p -169.61 177.13 4.67 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.967 1.307 . . . . 0.0 110.358 178.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.51 22.95 35.7 Favored Glycine 0 CA--C 1.52 0.377 0 C-N-CA 126.834 2.159 . . . . 0.0 113.711 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -120.5 157.68 28.88 Favored 'General case' 0 C--O 1.241 0.61 0 CA-C-N 119.028 1.414 . . . . 0.0 107.602 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 7.6 p -136.68 -48.35 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 C-N-CA 124.292 1.037 . . . . 0.0 110.749 -178.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -59.27 -45.07 92.23 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 126.785 2.034 . . . . 0.0 110.92 -178.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.21 -39.78 79.92 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.553 0.741 . . . . 0.0 111.108 178.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 15.7 mttp -66.49 -45.96 77.87 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 119.164 -0.446 . . . . 0.0 109.978 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 89.8 mt -59.78 -47.12 92.52 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 N-CA-C 106.421 -1.696 . . . . 0.0 106.421 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.03 -19.55 65.28 Favored 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.226 -0.921 . . . . 0.0 113.077 179.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 29.5 tttp -78.18 -58.96 2.98 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 120.495 1.498 . . . . 0.0 109.87 179.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.425 ' HB2' HG13 ' B' ' 26' ' ' VAL . 3.7 mm? -58.16 -33.17 68.92 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 119.571 1.078 . . . . 0.0 110.71 -179.441 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 54.9 mmm -59.73 -20.73 58.36 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 123.859 0.864 . . . . 0.0 111.805 178.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -81.97 -29.03 39.48 Favored Glycine 0 C--N 1.334 0.443 0 N-CA-C 110.452 -1.059 . . . . 0.0 110.452 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -63.92 -35.12 79.63 Favored 'General case' 0 C--N 1.34 0.155 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 179.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 143.2 -21.44 2.27 Favored Glycine 0 CA--C 1.527 0.784 0 C-N-CA 124.249 0.928 . . . . 0.0 114.909 178.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -61.22 150.55 34.22 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.501 1.15 . . . . 0.0 113.962 -177.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.24 151.41 39.92 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 126.171 1.789 . . . . 0.0 112.194 -178.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -57.26 -41.92 80.6 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 123.605 0.762 . . . . 0.0 112.47 -179.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 67.0 mt-10 -67.26 -22.09 65.69 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -178.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -91.87 -43.95 9.21 Favored 'General case' 0 C--O 1.224 -0.247 0 C-N-CA 124.799 1.24 . . . . 0.0 108.908 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.425 HG13 ' HB2' ' B' ' 16' ' ' LEU . 77.4 t -62.5 -54.32 35.55 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 C-N-CA 124.046 0.938 . . . . 0.0 109.972 -179.331 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -55.86 -37.9 69.4 Favored 'General case' 0 CA--C 1.521 -0.14 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -65.48 -54.35 29.61 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.88 -40.41 76.15 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 124.095 0.958 . . . . 0.0 112.192 -179.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.59 -43.51 96.74 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 120.082 1.31 . . . . 0.0 110.56 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -61.88 -46.13 90.75 Favored 'General case' 0 C--O 1.238 0.5 0 CA-C-N 120.366 1.439 . . . . 0.0 110.213 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 71.5 mt -63.34 -32.21 55.66 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -87.45 9.56 20.39 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.966 2.106 . . . . 0.0 112.694 179.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 51.89 47.64 24.37 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.044 1.337 . . . . 0.0 110.158 -178.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 64.1 m-20 52.98 52.68 13.36 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 129.278 3.031 . . . . 0.0 112.06 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -129.46 114.6 16.34 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.92 0.888 . . . . 0.0 110.005 178.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 54.2 t -54.49 -44.33 67.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 125.985 1.714 . . . . 0.0 111.374 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -56.07 -38.29 70.45 Favored 'General case' 0 N--CA 1.458 -0.06 0 C-N-CA 123.424 0.69 . . . . 0.0 112.515 -178.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.578 HG11 HG11 ' A' ' 39' ' ' VAL . 57.4 t -87.63 -37.91 11.36 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 C-N-CA 123.145 0.578 . . . . 0.0 110.522 -179.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -52.89 -33.92 52.46 Favored 'General case' 0 C--N 1.344 0.352 0 CA-C-N 118.286 0.494 . . . . 0.0 111.248 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 30.5 mtt85 -55.99 -49.76 72.73 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 122.993 0.517 . . . . 0.0 111.699 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.5 m -63.54 -29.35 70.62 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 124.203 1.001 . . . . 0.0 112.24 -178.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 71.6 mt -74.88 -49.22 29.95 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 N-CA-C 106.986 -1.487 . . . . 0.0 106.986 178.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 63.0 mt -58.64 -33.35 69.96 Favored 'General case' 0 C--N 1.339 0.14 0 C-N-CA 123.931 0.893 . . . . 0.0 109.77 179.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -64.42 -20.21 66.01 Favored 'General case' 0 N--CA 1.462 0.139 0 C-N-CA 124.62 1.168 . . . . 0.0 111.852 178.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -88.25 -57.88 2.76 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 106.74 -1.578 . . . . 0.0 106.74 177.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -62.86 -28.5 70.07 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 -177.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 42.6 t -108.47 -0.81 20.26 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 119.94 1.245 . . . . 0.0 111.697 179.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 63.78 -156.53 43.38 Favored Glycine 0 CA--C 1.539 1.569 0 CA-C-N 119.513 1.051 . . . . 0.0 110.757 -179.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -71.51 165.99 30.76 Favored 'Trans proline' 0 CA--C 1.537 0.664 0 C-N-CA 123.356 2.704 . . . . 0.0 110.793 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 16.8 m -144.07 143.12 31.01 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 125.258 1.423 . . . . 0.0 107.44 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 3.7 p -156.28 147.74 22.59 Favored 'General case' 0 C--O 1.235 0.31 0 C-N-CA 124.41 1.084 . . . . 0.0 110.306 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.496 -1.133 0 N-CA-C 105.577 -3.009 . . . . 0.0 105.577 179.686 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.721 0 N-CA-C 110.052 -1.219 . . . . 0.0 110.052 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.1 m -142.81 -168.87 2.88 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 125.185 1.394 . . . . 0.0 108.652 179.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 m -137.66 -164.54 1.62 Allowed 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 125.761 1.624 . . . . 0.0 108.259 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.34 30.84 8.83 Favored Glycine 0 CA--C 1.525 0.696 0 CA-C-O 118.79 -1.005 . . . . 0.0 110.896 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.4 m -142.58 161.13 38.87 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 126.151 1.78 . . . . 0.0 109.372 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 m -66.42 167.38 10.73 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.955 1.302 . . . . 0.0 110.279 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.19 -133.9 2.67 Favored Glycine 0 C--N 1.334 0.451 0 O-C-N 121.154 -0.966 . . . . 0.0 111.288 179.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -67.82 164.03 20.5 Favored 'General case' 0 C--N 1.333 -0.145 0 C-N-CA 122.859 0.464 . . . . 0.0 110.621 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.0 t -127.31 -42.53 0.96 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 C-N-CA 125.072 1.349 . . . . 0.0 108.463 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.61 -53.25 58.83 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.027 0.931 . . . . 0.0 110.326 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.59 -10.42 12.13 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 179.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.9 mttt -93.98 -34.67 12.96 Favored 'General case' 0 C--O 1.227 -0.129 0 O-C-N 120.975 -1.078 . . . . 0.0 108.576 178.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 94.4 mt -63.31 -58.79 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 N-CA-C 107.655 -1.239 . . . . 0.0 107.655 179.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.19 -33.9 63.42 Favored 'General case' 0 CA--C 1.533 0.307 0 O-C-N 122.073 -0.392 . . . . 0.0 111.462 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.6 tttp -61.12 -56.48 20.37 Favored 'General case' 0 C--N 1.34 0.16 0 C-N-CA 123.112 0.565 . . . . 0.0 110.595 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.61 -35.48 81.15 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 118.083 -0.96 . . . . 0.0 110.984 179.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 87.8 mtp -56.95 -35.12 68.74 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 177.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.17 -22.33 62.8 Favored Glycine 0 C--N 1.342 0.909 0 C-N-CA 125.679 1.609 . . . . 0.0 113.301 178.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -71.22 -19.92 62.32 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 119.266 1.533 . . . . 0.0 107.304 177.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 109.04 60.24 0.53 Allowed Glycine 0 C--N 1.34 0.787 0 C-N-CA 127.933 2.682 . . . . 0.0 112.639 179.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -138.75 158.97 43.25 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 124.875 1.27 . . . . 0.0 109.699 178.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.84 154.67 31.6 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.738 0.815 . . . . 0.0 110.651 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -56.58 -44.39 81.01 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 124.034 0.934 . . . . 0.0 113.298 -179.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -60.53 -39.96 89.77 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 123.773 0.829 . . . . 0.0 111.327 -178.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -69.58 -49.1 57.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 122.131 0.967 . . . . 0.0 108.982 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 83.1 t -59.87 -46.99 93.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 C-N-CA 123.856 0.862 . . . . 0.0 111.593 -178.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.1 ttpt -57.95 -36.5 72.63 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 119.134 -0.46 . . . . 0.0 109.931 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.3 tpt180 -70.09 -50.09 44.3 Favored 'General case' 0 C--N 1.339 0.146 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 179.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.27 -45.02 76.14 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 123.89 0.876 . . . . 0.0 111.573 -179.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.13 -31.82 73.2 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 117.364 -1.303 . . . . 0.0 111.176 179.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -66.23 -50.72 62.83 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 120.799 1.636 . . . . 0.0 108.614 179.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 76.4 mt -57.99 -49.69 80.47 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 C-N-CA 125.049 1.34 . . . . 0.0 108.426 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.405 ' HB2' HD12 ' A' ' 43' ' ' ILE . . . -65.3 12.43 0.05 OUTLIER 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 127.173 2.189 . . . . 0.0 115.556 -179.502 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 53.09 39.64 29.89 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 121.077 1.762 . . . . 0.0 108.648 -177.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.0 m120 52.32 40.57 29.49 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 127.984 2.514 . . . . 0.0 111.488 -179.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 42.1 t-20 -110.38 120.97 44.15 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 124.286 1.035 . . . . 0.0 110.224 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 40.8 t -58.5 -48.28 85.85 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 125.353 1.461 . . . . 0.0 110.878 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -48.2 -53.7 16.05 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 126.12 1.768 . . . . 0.0 111.5 -178.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.535 HG11 HG11 ' B' ' 39' ' ' VAL . 23.4 t -72.65 -44.9 59.44 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 C-N-CA 125.948 1.699 . . . . 0.0 111.477 -178.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.79 -32.7 60.52 Favored 'General case' 0 C--N 1.34 0.188 0 O-C-N 121.593 -0.692 . . . . 0.0 111.862 -179.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -55.72 -49.66 72.44 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.659 0.783 . . . . 0.0 110.083 179.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.2 m -71.05 -34.37 71.17 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 118.372 -0.823 . . . . 0.0 111.278 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.405 HD12 ' HB2' ' A' ' 33' ' ' ALA . 54.2 mt -59.61 -53.74 44.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-N 119.327 0.967 . . . . 0.0 108.459 179.163 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.3 mt -60.96 -29.96 69.96 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 122.791 0.436 . . . . 0.0 111.503 179.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.67 -30.74 71.77 Favored 'General case' 0 C--O 1.232 0.167 0 C-N-CA 122.592 0.357 . . . . 0.0 111.012 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -91.63 -38.36 12.5 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 118.761 -0.638 . . . . 0.0 109.563 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -63.59 -49.88 71.61 Favored 'General case' 0 C--N 1.342 0.257 0 CA-C-N 119.12 0.873 . . . . 0.0 109.437 179.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.5 t -76.23 -85.74 0.05 Allowed 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 147.91 -169.91 28.63 Favored Glycine 0 CA--C 1.534 1.259 0 N-CA-C 106.805 -2.518 . . . . 0.0 106.805 -178.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -70.84 154.35 63.5 Favored 'Trans proline' 0 CA--C 1.535 0.547 0 C-N-CA 123.215 2.61 . . . . 0.0 111.876 179.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.5 m -68.87 169.73 10.98 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.802 0.841 . . . . 0.0 110.85 179.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 33.0 m -142.93 38.76 1.46 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.245 1.018 . . . . 0.0 110.673 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.012 0 N-CA-C 108.093 -2.003 . . . . 0.0 108.093 -179.61 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.697 0 N-CA-C 111.129 -0.789 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 42.7 m -138.69 93.95 2.78 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 107.027 -1.471 . . . . 0.0 107.027 179.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 48.7 m -81.7 149.26 28.58 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 178.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.44 29.66 0.12 Allowed Glycine 0 CA--C 1.525 0.713 0 C-N-CA 124.684 1.135 . . . . 0.0 111.068 -179.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 15.0 m -140.08 -170.83 3.05 Favored 'General case' 0 C--O 1.242 0.665 0 C-N-CA 125.361 1.464 . . . . 0.0 109.342 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 5.2 m -67.03 174.11 3.28 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.482 1.513 . . . . 0.0 111.753 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.92 -154.29 25.41 Favored Glycine 0 CA--C 1.525 0.698 0 O-C-N 120.455 -1.403 . . . . 0.0 112.553 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -55.03 153.06 6.85 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 124.711 1.204 . . . . 0.0 110.432 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 44.9 t -128.1 -41.03 0.82 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 123.673 0.789 . . . . 0.0 110.317 179.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -58.32 -42.43 86.73 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 118.722 0.692 . . . . 0.0 110.175 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.26 -37.42 85.42 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 122.072 -0.392 . . . . 0.0 110.538 178.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -62.6 -37.31 85.74 Favored 'General case' 0 C--N 1.341 0.202 0 C-N-CA 123.475 0.71 . . . . 0.0 110.111 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 65.3 mt -60.92 -59.87 3.57 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 N-CA-C 106.657 -1.609 . . . . 0.0 106.657 179.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.88 -38.13 64.44 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 111.983 0.364 . . . . 0.0 111.983 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 50.1 tttp -54.27 -56.76 15.25 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 123.927 0.891 . . . . 0.0 108.758 179.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -67.5 -36.99 82.16 Favored 'General case' 0 CA--C 1.528 0.134 0 CA-C-O 118.514 -0.755 . . . . 0.0 112.161 179.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 96.4 mtp -58.4 -36.93 74.32 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 119.624 1.102 . . . . 0.0 109.672 179.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -60.48 -23.38 60.34 Favored Glycine 0 CA--C 1.529 0.912 0 CA-C-O 118.849 -0.973 . . . . 0.0 111.892 179.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -63.43 -33.03 74.65 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 119.68 1.74 . . . . 0.0 107.911 178.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 130.79 1.74 4.96 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 126.393 1.949 . . . . 0.0 114.01 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -79.12 155.69 28.61 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 118.961 1.38 . . . . 0.0 111.654 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.12 158.14 32.08 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.72 0.808 . . . . 0.0 109.67 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -55.74 -44.57 77.7 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 -178.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -64.79 -32.49 74.2 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -177.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -67.4 -49.76 62.45 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 123.904 0.881 . . . . 0.0 109.995 -179.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 57.6 t -63.12 -50.38 79.54 Favored 'Isoleucine or valine' 0 C--O 1.236 0.37 0 C-N-CA 125.411 1.484 . . . . 0.0 113.647 -178.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -57.66 -38.28 74.81 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 119.488 -0.885 . . . . 0.0 110.014 -179.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 8.8 tpt180 -71.51 -39.16 70.98 Favored 'General case' 0 CA--C 1.528 0.097 0 O-C-N 124.379 1.049 . . . . 0.0 109.661 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.47 -47.79 84.06 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 118.482 0.583 . . . . 0.0 110.072 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.02 -31.37 72.22 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-O 118.042 -0.98 . . . . 0.0 109.943 179.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -64.62 -57.03 10.21 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 119.95 1.25 . . . . 0.0 108.62 178.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 84.6 mt -58.67 -45.33 90.88 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 124.018 0.927 . . . . 0.0 109.869 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.08 3.59 2.01 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.929 1.692 . . . . 0.0 114.695 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 63.1 mt-30 56.54 48.03 17.45 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 123.068 1.413 . . . . 0.0 109.451 -178.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 15.7 m120 61.08 17.27 7.87 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 129.091 2.956 . . . . 0.0 113.394 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 60.7 t-20 -88.0 119.62 28.55 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 120.042 1.292 . . . . 0.0 110.759 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 3.0 t -60.33 -41.21 86.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 C-N-CA 125.391 1.476 . . . . 0.0 112.111 179.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -70.43 -42.92 70.92 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 123.734 0.814 . . . . 0.0 112.115 -176.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.535 HG11 HG11 ' A' ' 39' ' ' VAL . 73.4 t -68.8 -40.52 81.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 N-CA-C 106.912 -1.514 . . . . 0.0 106.912 177.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.86 -37.41 71.26 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 118.448 0.567 . . . . 0.0 109.493 178.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.36 -44.73 76.28 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.034 0.834 . . . . 0.0 109.663 178.54 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 9.4 m -73.51 -33.15 64.63 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.455 1.102 . . . . 0.0 112.02 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 62.6 mt -66.92 -49.76 70.97 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 179.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 11.9 mt -57.63 -31.82 66.63 Favored 'General case' 0 C--O 1.232 0.183 0 C-N-CA 123.644 0.777 . . . . 0.0 110.491 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.4 -17.73 63.69 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 124.625 1.17 . . . . 0.0 113.204 178.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -98.95 -45.76 5.85 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 119.693 1.133 . . . . 0.0 111.654 179.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -63.71 -53.26 54.01 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 118.96 0.8 . . . . 0.0 109.266 179.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 24.7 t -80.18 -76.54 0.22 Allowed 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 133.18 -160.74 24.02 Favored Glycine 0 CA--C 1.533 1.172 0 N-CA-C 108.829 -1.708 . . . . 0.0 108.829 -178.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -72.58 162.45 41.31 Favored 'Trans proline' 0 N--CA 1.456 -0.709 0 C-N-CA 122.139 1.893 . . . . 0.0 107.925 177.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 19.9 m -97.4 94.67 7.18 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 -179.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 11.2 m -75.65 60.85 1.29 Allowed 'General case' 0 C--O 1.238 0.481 0 C-N-CA 124.56 1.144 . . . . 0.0 112.91 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.671 0 N-CA-C 107.997 -2.041 . . . . 0.0 107.997 179.188 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.959 0 N-CA-C 109.203 -1.559 . . . . 0.0 109.203 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.1 p -159.49 62.97 0.38 Allowed 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 117.988 0.894 . . . . 0.0 112.8 -178.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.5 m -46.87 -49.15 20.72 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.83 -158.36 14.69 Favored Glycine 0 CA--C 1.531 1.05 0 CA-C-N 119.583 1.083 . . . . 0.0 112.46 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.2 m -56.38 157.91 4.66 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.834 0.854 . . . . 0.0 111.664 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.7 t -139.16 -88.37 0.21 Allowed 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 118.301 -0.857 . . . . 0.0 109.852 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.71 -128.78 1.2 Allowed Glycine 0 C--N 1.339 0.704 0 CA-C-N 120.5 1.5 . . . . 0.0 111.946 -179.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -36.19 129.57 0.69 Allowed 'General case' 0 C--O 1.234 0.284 0 C-N-CA 127.698 2.399 . . . . 0.0 114.678 -179.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 1.3 p -74.56 -34.14 34.4 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 N-CA-C 105.677 -1.972 . . . . 0.0 105.677 176.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.38 -50.43 40.21 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 129.87 3.268 . . . . 0.0 110.11 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.96 -20.44 57.62 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 125.484 1.514 . . . . 0.0 112.988 -179.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.3 mttp -93.59 -38.96 11.09 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 124.684 1.194 . . . . 0.0 108.117 178.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 73.5 mt -59.19 -54.47 33.84 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 179.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.44 -34.08 64.16 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -179.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.1 tptt -65.53 -56.31 13.02 Favored 'General case' 0 C--N 1.339 0.144 0 C-N-CA 124.438 1.095 . . . . 0.0 108.993 179.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.66 -38.52 90.64 Favored 'General case' 0 C--N 1.34 0.183 0 CA-C-O 118.267 -0.873 . . . . 0.0 112.234 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 86.7 mtp -57.06 -29.15 63.19 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.676 1.125 . . . . 0.0 110.194 179.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -72.01 -8.77 69.94 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 121.06 -1.025 . . . . 0.0 113.2 179.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -90.37 -8.21 51.28 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 119.57 1.685 . . . . 0.0 112.7 -179.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.61 48.66 0.84 Allowed Glycine 0 C--N 1.338 0.671 0 C-N-CA 124.4 1.0 . . . . 0.0 112.387 179.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -139.9 149.27 43.16 Favored 'General case' 0 C--O 1.238 0.469 0 C-N-CA 123.934 0.894 . . . . 0.0 109.804 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.09 159.66 26.03 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 123.5 0.72 . . . . 0.0 111.675 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -56.62 -45.11 81.67 Favored 'General case' 0 CA--C 1.53 0.188 0 O-C-N 121.903 -0.498 . . . . 0.0 111.333 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 73.4 mt-10 -62.45 -30.58 71.34 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.113 0.565 . . . . 0.0 112.325 -178.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -79.17 -49.67 12.19 Favored 'General case' 0 C--N 1.333 -0.133 0 C-N-CA 124.652 1.181 . . . . 0.0 109.201 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 91.6 t -62.55 -50.24 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 C-N-CA 124.237 1.015 . . . . 0.0 110.73 -179.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.8 ttpt -57.52 -38.05 74.04 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.4 tpt180 -65.3 -48.87 71.61 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.07 -48.62 80.92 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 122.935 0.494 . . . . 0.0 110.605 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -56.17 -46.86 79.16 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 117.58 -1.2 . . . . 0.0 110.584 179.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -55.67 -56.99 13.93 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.213 1.005 . . . . 0.0 109.396 179.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 94.4 mt -55.74 -46.64 79.76 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 124.344 1.057 . . . . 0.0 109.439 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.45 3.27 2.42 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.845 2.058 . . . . 0.0 114.361 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 53.94 47.09 24.25 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 122.684 1.23 . . . . 0.0 108.576 -177.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 47.23 62.12 2.56 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 129.821 3.248 . . . . 0.0 113.428 179.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 57.7 t-20 -133.06 120.63 21.56 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.178 0.991 . . . . 0.0 109.927 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 47.5 t -61.21 -42.69 94.4 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 125.213 1.405 . . . . 0.0 112.214 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -65.85 -19.72 65.98 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 124.301 1.04 . . . . 0.0 112.688 -177.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.675 HG11 HG11 ' B' ' 39' ' ' VAL . 45.6 t -99.86 -43.83 11.29 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 C-N-CA 125.118 1.367 . . . . 0.0 109.771 179.324 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.37 -31.33 69.12 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -54.51 -52.61 61.42 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 119.234 0.925 . . . . 0.0 111.129 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.2 m -61.44 -34.5 75.52 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 118.321 -0.847 . . . . 0.0 112.087 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 61.6 mt -62.31 -51.83 67.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 CA-C-N 119.74 1.155 . . . . 0.0 108.445 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 21.4 mt -61.98 -32.83 73.32 Favored 'General case' 0 C--O 1.225 -0.221 0 C-N-CA 123.042 0.537 . . . . 0.0 110.78 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.7 mmt85 -65.6 -40.27 92.46 Favored 'General case' 0 C--O 1.226 -0.169 0 CA-C-N 118.506 0.594 . . . . 0.0 110.209 178.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -69.04 -51.66 36.69 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 118.285 0.493 . . . . 0.0 109.989 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -64.56 -53.37 48.9 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 118.478 0.581 . . . . 0.0 111.711 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.14 30.8 0.51 Allowed 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.685 1.194 . . . . 0.0 112.631 -178.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -49.13 -57.63 8.72 Favored Glycine 0 CA--C 1.533 1.196 0 CA-C-O 118.307 -1.274 . . . . 0.0 111.22 178.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -76.3 85.93 1.62 Allowed 'Trans proline' 0 N--CA 1.454 -0.795 0 C-N-CA 123.427 2.752 . . . . 0.0 113.378 -179.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.9 t -126.6 -77.08 0.58 Allowed 'General case' 0 C--O 1.238 0.463 0 O-C-N 121.274 -0.891 . . . . 0.0 111.804 179.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.1 m -118.69 89.46 3.13 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.851 1.26 . . . . 0.0 112.386 -178.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.879 0 CA-C-O 116.384 -2.342 . . . . 0.0 109.649 179.261 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.494 0 N-CA-C 110.377 -1.089 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 4.3 p -143.17 162.55 35.29 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 179.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.16 -39.44 2.35 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 123.162 0.585 . . . . 0.0 109.763 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.78 -135.94 4.59 Favored Glycine 0 C--N 1.336 0.57 0 CA-C-N 119.221 0.918 . . . . 0.0 111.313 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.96 -179.1 5.87 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.551 1.54 . . . . 0.0 109.598 -179.723 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 29.0 t -138.38 -161.34 1.17 Allowed 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 106.712 -1.588 . . . . 0.0 106.712 179.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.03 -82.52 1.34 Allowed Glycine 0 CA--C 1.529 0.912 0 CA-C-N 119.728 1.149 . . . . 0.0 113.534 -179.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -57.33 132.21 52.38 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 125.386 1.474 . . . . 0.0 113.971 -178.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 4.5 p -85.28 -35.06 9.29 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 C-N-CA 124.711 1.204 . . . . 0.0 108.457 178.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -54.32 -45.61 72.67 Favored 'General case' 0 C--O 1.234 0.238 0 C-N-CA 128.865 2.866 . . . . 0.0 110.76 -179.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.1 -36.61 68.35 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 125.128 1.371 . . . . 0.0 111.666 179.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 49.4 mttp -73.31 -42.61 62.17 Favored 'General case' 0 CA--C 1.518 -0.277 0 C-N-CA 124.47 1.108 . . . . 0.0 109.69 -179.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 87.2 mt -58.28 -52.98 52.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 N-CA-C 107.525 -1.287 . . . . 0.0 107.525 179.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.21 -27.74 67.43 Favored 'General case' 0 CA--C 1.532 0.272 0 O-C-N 121.511 -0.743 . . . . 0.0 112.529 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 4.4 tptt -65.14 -66.33 0.56 Allowed 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 118.6 0.636 . . . . 0.0 110.048 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -60.63 -34.68 74.62 Favored 'General case' 0 C--O 1.224 -0.239 0 CA-C-O 118.114 -0.946 . . . . 0.0 111.466 -179.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 84.8 mtp -57.68 -28.21 63.58 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 119.856 1.207 . . . . 0.0 110.906 179.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -77.83 -20.17 74.07 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 121.249 -0.907 . . . . 0.0 112.637 179.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -78.9 -0.46 30.9 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.503 1.521 . . . . 0.0 112.542 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.28 46.16 2.06 Favored Glycine 0 C--N 1.338 0.656 0 CA-C-O 118.621 -1.099 . . . . 0.0 113.73 179.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -140.31 149.13 42.39 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 117.974 0.887 . . . . 0.0 109.71 178.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.82 162.03 26.37 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 123.66 0.784 . . . . 0.0 111.694 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -54.82 -46.26 74.55 Favored 'General case' 0 N--CA 1.461 0.108 0 C-N-CA 124.095 0.958 . . . . 0.0 112.199 -179.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -57.01 -51.42 69.34 Favored 'General case' 0 C--O 1.232 0.153 0 C-N-CA 122.987 0.515 . . . . 0.0 111.163 -179.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -56.92 -50.78 71.52 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 125.663 1.585 . . . . 0.0 110.788 -179.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 72.8 t -62.08 -56.76 15.58 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 C-N-CA 124.334 1.054 . . . . 0.0 110.903 -178.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 23.2 ttpt -57.22 -36.19 70.58 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 118.152 0.433 . . . . 0.0 110.238 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -64.03 -51.18 65.41 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.28 -44.05 95.68 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 123.439 0.696 . . . . 0.0 112.27 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -65.82 -34.72 78.8 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 119.792 1.178 . . . . 0.0 111.032 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -62.0 -44.08 97.49 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 119.54 1.064 . . . . 0.0 108.963 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 79.4 mt -67.74 -48.54 75.53 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 C-N-CA 125.347 1.459 . . . . 0.0 108.455 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.86 14.76 0.1 Allowed 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 129.107 2.963 . . . . 0.0 115.842 -179.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . 0.457 ' HG3' HG22 ' A' ' 39' ' ' VAL . 5.6 mm100 53.0 37.48 24.78 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 120.629 1.559 . . . . 0.0 111.257 -178.575 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 54.95 54.28 9.22 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 126.469 1.908 . . . . 0.0 110.464 -179.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 42.1 t-20 -130.8 115.78 17.07 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 124.354 1.062 . . . . 0.0 109.557 179.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 48.7 t -57.25 -41.64 78.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 C-N-CA 125.588 1.555 . . . . 0.0 110.884 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -57.29 -28.56 63.13 Favored 'General case' 0 C--N 1.334 -0.09 0 C-N-CA 125.293 1.437 . . . . 0.0 112.45 -178.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.675 HG11 HG11 ' A' ' 39' ' ' VAL . 97.6 t -99.4 -43.81 11.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 C-N-CA 123.728 0.811 . . . . 0.0 110.68 -178.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.57 -32.48 51.01 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 118.602 0.637 . . . . 0.0 110.81 179.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -56.05 -41.91 75.76 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.186 1.395 . . . . 0.0 110.667 178.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 8.4 m -77.58 -33.14 54.01 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.974 0.91 . . . . 0.0 110.927 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 67.3 mt -65.6 -49.07 80.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 N-CA-C 108.239 -1.023 . . . . 0.0 108.239 179.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 31.9 mt -59.15 -31.27 68.82 Favored 'General case' 0 C--O 1.224 -0.275 0 C-N-CA 123.332 0.653 . . . . 0.0 110.462 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.8 -25.33 66.41 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 118.42 0.555 . . . . 0.0 111.745 179.001 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -80.6 -57.79 3.41 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 179.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -63.06 -49.39 74.7 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 123.928 0.891 . . . . 0.0 112.554 -178.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 8.1 t -90.48 52.14 2.15 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 179.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -73.33 -66.68 1.96 Allowed Glycine 0 CA--C 1.527 0.791 0 N-CA-C 107.861 -2.096 . . . . 0.0 107.861 178.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.08 105.39 1.69 Allowed 'Trans proline' 0 N--CA 1.453 -0.898 0 C-N-CA 122.614 2.209 . . . . 0.0 109.548 179.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 32.0 t -149.23 -50.58 0.15 Allowed 'General case' 0 C--O 1.235 0.313 0 C-N-CA 123.887 0.875 . . . . 0.0 109.759 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 36.8 p -151.19 25.57 0.71 Allowed 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 -178.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.029 0 N-CA-C 106.121 -2.792 . . . . 0.0 106.121 -179.817 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.772 0 N-CA-C 110.366 -1.094 . . . . 0.0 110.366 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.7 m -158.84 -73.7 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 O-C-N 121.069 -1.254 . . . . 0.0 108.776 179.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.2 m -67.04 -68.64 0.36 Allowed 'General case' 0 C--O 1.235 0.332 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 -178.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.0 176.11 40.25 Favored Glycine 0 CA--C 1.534 1.22 0 N-CA-C 109.035 -1.626 . . . . 0.0 109.035 -177.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 t -134.81 126.83 29.65 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 106.134 -1.802 . . . . 0.0 106.134 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.4 m 59.8 179.99 0.09 Allowed 'General case' 0 C--O 1.241 0.635 0 C-N-CA 125.099 1.36 . . . . 0.0 111.933 -177.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.39 -104.81 0.36 Allowed Glycine 0 N--CA 1.449 -0.498 0 N-CA-C 105.908 -2.877 . . . . 0.0 105.908 -179.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -65.06 164.76 12.29 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 116.913 0.356 . . . . 0.0 110.782 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.7 t -131.7 -62.74 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 C-N-CA 124.841 1.257 . . . . 0.0 108.792 -179.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.83 -34.65 71.78 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 120.977 -1.077 . . . . 0.0 111.221 -179.728 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.8 -16.69 59.21 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.822 0.849 . . . . 0.0 112.017 179.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 45.1 mttp -93.78 -34.78 13.06 Favored 'General case' 0 CA--C 1.517 -0.294 0 C-N-CA 124.864 1.266 . . . . 0.0 109.966 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 96.5 mt -58.8 -56.07 19.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.13 0 N-CA-C 107.019 -1.474 . . . . 0.0 107.019 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.91 -27.02 64.86 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 118.01 0.368 . . . . 0.0 111.93 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.0 tptt -67.03 -62.2 1.55 Allowed 'General case' 0 C--N 1.34 0.164 0 C-N-CA 124.028 0.931 . . . . 0.0 109.318 179.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.56 -35.44 76.06 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 118.411 0.55 . . . . 0.0 109.946 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 71.1 mmm -60.69 -24.94 66.01 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.508 -0.745 . . . . 0.0 110.191 178.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.8 -12.61 84.38 Favored Glycine 0 CA--C 1.525 0.694 0 C-N-CA 125.268 1.414 . . . . 0.0 111.855 179.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -80.42 -51.69 8.53 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 106.109 -1.811 . . . . 0.0 106.109 178.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 134.12 64.9 0.07 OUTLIER Glycine 0 C--N 1.336 0.546 0 C-N-CA 124.316 0.96 . . . . 0.0 111.489 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -135.51 152.05 50.95 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 125.828 1.651 . . . . 0.0 107.389 178.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.47 149.83 36.74 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 119.017 0.826 . . . . 0.0 109.523 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -49.85 -42.18 46.89 Favored 'General case' 0 CA--C 1.518 -0.259 0 C-N-CA 126.219 1.807 . . . . 0.0 113.8 -178.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -64.83 -41.45 95.73 Favored 'General case' 0 N--CA 1.449 -0.506 0 O-C-N 123.183 0.302 . . . . 0.0 111.21 -178.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -66.31 -46.77 75.8 Favored 'General case' 0 CA--C 1.517 -0.29 0 C-N-CA 126.187 1.795 . . . . 0.0 108.424 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.1 t -58.74 -57.06 12.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 123.921 0.889 . . . . 0.0 110.021 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.6 mtpt -58.21 -35.42 71.63 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 118.883 -0.579 . . . . 0.0 111.111 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -68.04 -53.22 27.38 Favored 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 -179.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.63 -44.12 76.83 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 123.899 0.879 . . . . 0.0 110.498 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.46 -39.97 92.81 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 116.774 -1.584 . . . . 0.0 110.163 179.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -64.58 -52.25 58.58 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 120.869 1.668 . . . . 0.0 109.544 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 94.5 mt -53.74 -46.38 62.34 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 C-N-CA 124.26 1.024 . . . . 0.0 108.33 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.97 9.55 0.53 Allowed 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 126.765 2.026 . . . . 0.0 114.34 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 56.28 31.76 19.12 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 120.605 1.548 . . . . 0.0 110.605 -178.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 12.5 m120 65.18 28.62 12.1 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 130.126 3.37 . . . . 0.0 112.105 -178.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 56.2 t-20 -98.27 121.81 40.66 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 120.64 -1.287 . . . . 0.0 109.582 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 24.9 t -61.4 -46.09 97.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 CA-C-N 119.014 0.824 . . . . 0.0 110.525 179.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -59.93 -30.8 69.3 Favored 'General case' 0 CA--C 1.515 -0.372 0 N-CA-C 113.113 0.783 . . . . 0.0 113.113 -178.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.901 HG11 HG11 ' B' ' 39' ' ' VAL . 25.8 t -87.7 -39.18 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.64 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.67 -31.53 70.77 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 123.613 0.765 . . . . 0.0 110.93 179.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 48.3 mtt180 -54.79 -54.65 39.36 Favored 'General case' 0 C--O 1.232 0.149 0 C-N-CA 124.002 0.921 . . . . 0.0 108.624 178.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.5 m -58.14 -40.92 82.53 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.629 0.772 . . . . 0.0 112.25 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 72.8 mt -61.4 -49.5 84.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 C-N-CA 123.516 0.726 . . . . 0.0 109.52 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 24.4 mt -61.42 -29.28 69.84 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 117.764 -1.112 . . . . 0.0 111.163 -179.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 67.4 mtt180 -67.35 -32.54 73.56 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 120.112 1.324 . . . . 0.0 110.589 178.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -75.22 -44.49 45.98 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 119.267 -0.397 . . . . 0.0 110.396 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -70.85 -52.53 19.74 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 118.467 0.576 . . . . 0.0 111.417 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 35.1 t -85.08 75.51 10.35 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 124.7 1.2 . . . . 0.0 108.663 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -77.92 -178.84 49.36 Favored Glycine 0 CA--C 1.537 1.438 0 N-CA-C 108.185 -1.966 . . . . 0.0 108.185 177.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -58.68 139.95 92.88 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.759 1.64 . . . . 0.0 108.063 178.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.53 35.65 0.79 Allowed 'General case' 0 C--O 1.241 0.624 0 CA-C-O 121.261 0.553 . . . . 0.0 111.473 -178.53 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 12.2 t 63.91 170.88 0.17 Allowed 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 126.058 1.743 . . . . 0.0 111.213 -179.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.232 0 C-N-CA 128.679 3.038 . . . . 0.0 105.837 -179.811 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.76 0 N-CA-C 110.575 -1.01 . . . . 0.0 110.575 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 70.8 m -129.14 -13.23 4.52 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.749 1.619 . . . . 0.0 113.431 -179.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 23.4 m -132.61 -53.16 0.94 Allowed 'General case' 0 C--O 1.234 0.273 0 C-N-CA 124.059 0.943 . . . . 0.0 110.401 -179.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.49 -166.89 54.77 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 123.32 0.486 . . . . 0.0 112.342 179.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 8.8 t -145.26 136.84 25.29 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 105.675 -1.972 . . . . 0.0 105.675 179.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 67.2 m 60.19 174.28 0.09 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.605 1.562 . . . . 0.0 112.095 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.61 -134.03 4.96 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 109.021 -1.632 . . . . 0.0 109.021 -179.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -65.25 168.61 6.68 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.647 1.179 . . . . 0.0 109.43 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 19.5 t -127.16 -39.3 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.198 0 C-N-CA 122.972 0.509 . . . . 0.0 110.088 179.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.93 -46.64 89.89 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 121.344 -0.847 . . . . 0.0 109.924 -179.39 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.47 -14.19 55.76 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 121.826 -0.546 . . . . 0.0 111.682 178.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 54.2 mttp -87.75 -46.48 9.44 Favored 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 106.703 -1.591 . . . . 0.0 106.703 178.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 67.8 mt -57.48 -52.41 57.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 N-CA-C 106.595 -1.632 . . . . 0.0 106.595 178.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.45 -12.77 16.04 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 25.6 tptt -79.73 -62.72 1.6 Allowed 'General case' 0 C--O 1.233 0.196 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 178.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -58.39 -33.56 69.76 Favored 'General case' 0 C--O 1.224 -0.268 0 C-N-CA 123.715 0.806 . . . . 0.0 110.446 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 63.0 mmm -56.2 -23.26 34.36 Favored 'General case' 0 CA--C 1.535 0.365 0 CA-C-N 118.568 0.622 . . . . 0.0 111.94 178.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -84.12 -20.76 58.53 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 121.005 -1.059 . . . . 0.0 112.253 178.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -78.89 -2.74 41.3 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 125.524 1.53 . . . . 0.0 113.962 -178.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.5 42.31 3.2 Favored Glycine 0 CA--C 1.53 0.987 0 CA-C-O 119.28 -0.733 . . . . 0.0 113.232 179.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -126.99 153.93 45.26 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-N 118.202 1.001 . . . . 0.0 109.516 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.34 148.82 30.5 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.032 0.933 . . . . 0.0 111.946 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -54.27 -42.44 69.99 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 123.729 0.811 . . . . 0.0 111.261 -179.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -55.75 -56.57 18.89 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.33 1.052 . . . . 0.0 109.28 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -59.56 -47.1 86.85 Favored 'General case' 0 CA--C 1.517 -0.301 0 C-N-CA 126.317 1.847 . . . . 0.0 111.159 -179.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 69.9 t -59.99 -53.39 49.27 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 C-N-CA 123.293 0.637 . . . . 0.0 110.024 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 4.4 mtpt -58.51 -39.09 79.12 Favored 'General case' 0 CA--C 1.514 -0.418 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 179.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -63.12 -54.54 36.15 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 108.308 -0.997 . . . . 0.0 108.308 -179.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.81 -45.34 70.76 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 125.646 1.578 . . . . 0.0 111.391 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.0 -41.57 96.77 Favored 'General case' 0 C--N 1.34 0.172 0 CA-C-N 120.016 1.28 . . . . 0.0 111.502 -179.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -60.49 -45.53 93.42 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 119.151 0.887 . . . . 0.0 111.124 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 54.5 mt -65.16 -49.31 79.87 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.577 0 C-N-CA 126.055 1.742 . . . . 0.0 107.891 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.456 ' HA ' HG13 ' A' ' 39' ' ' VAL . . . -66.17 13.18 0.05 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 129.244 3.018 . . . . 0.0 115.162 -179.533 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . 0.423 ' HG3' HG22 ' A' ' 39' ' ' VAL . 2.7 mm100 55.65 33.14 20.66 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 120.653 1.569 . . . . 0.0 110.114 -178.272 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 3.7 m120 59.16 48.68 10.16 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 128.166 2.587 . . . . 0.0 109.798 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 -126.21 118.87 26.07 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 124.57 1.148 . . . . 0.0 111.377 -179.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.47 -41.78 88.84 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.143 0 C-N-CA 124.607 1.163 . . . . 0.0 110.087 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -58.98 -24.5 62.73 Favored 'General case' 0 C--O 1.231 0.105 0 C-N-CA 123.522 0.729 . . . . 0.0 112.774 -178.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.901 HG11 HG11 ' A' ' 39' ' ' VAL . 25.9 t -99.85 -39.83 7.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 178.251 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.411 ' HA ' HD12 ' B' ' 43' ' ' ILE . . . -54.53 -33.03 59.29 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.163 0.585 . . . . 0.0 111.051 179.457 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 52.4 mtt180 -56.01 -51.95 65.95 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 178.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 1.6 m -59.55 -35.77 74.86 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.702 1.201 . . . . 0.0 113.708 -179.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.411 HD12 ' HA ' ' B' ' 40' ' ' ALA . 75.3 mt -65.68 -55.68 18.6 Favored 'Isoleucine or valine' 0 C--O 1.232 0.167 0 C-N-CA 124.641 1.176 . . . . 0.0 108.749 -179.551 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 42.6 mt -57.41 -30.25 64.8 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 124.38 1.072 . . . . 0.0 112.261 -178.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -64.72 -32.76 74.58 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 119.054 0.843 . . . . 0.0 110.943 178.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -83.08 -48.99 10.0 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-O 118.992 -0.528 . . . . 0.0 110.648 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -63.95 -51.91 62.2 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 118.417 0.553 . . . . 0.0 111.685 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.93 61.23 6.71 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.548 1.139 . . . . 0.0 108.545 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . -67.25 -179.55 12.92 Favored Glycine 0 CA--C 1.533 1.21 0 C-N-CA 125.138 1.352 . . . . 0.0 112.465 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -60.73 110.63 0.86 Allowed 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 123.612 2.875 . . . . 0.0 111.241 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 19.4 t -120.71 16.86 11.94 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.163 1.785 . . . . 0.0 111.496 -179.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 3.9 t 63.14 171.76 0.15 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 127.3 2.24 . . . . 0.0 113.777 179.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.017 0 N-CA-C 107.244 -2.342 . . . . 0.0 107.244 -179.495 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.129 0 N-CA-C 110.598 -1.001 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 m -59.91 132.6 54.45 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 179.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 m 79.25 -6.54 1.85 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 127.493 2.317 . . . . 0.0 112.351 -178.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.89 150.46 51.53 Favored Glycine 0 CA--C 1.527 0.806 0 C-N-CA 124.325 0.964 . . . . 0.0 114.82 -178.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.1 t -167.18 149.73 6.17 Favored 'General case' 0 C--O 1.238 0.457 0 C-N-CA 126.273 1.829 . . . . 0.0 108.232 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.0 t -140.13 148.43 41.66 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 126.858 2.063 . . . . 0.0 105.548 178.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.54 -70.12 0.39 Allowed Glycine 0 CA--C 1.523 0.578 0 CA-C-O 119.359 -0.689 . . . . 0.0 112.667 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -83.44 171.21 13.67 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 118.521 1.16 . . . . 0.0 111.343 -179.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 64.5 t -136.08 -53.92 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 C-N-CA 123.969 0.908 . . . . 0.0 110.563 -179.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -60.74 -37.76 82.85 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 119.996 1.271 . . . . 0.0 111.785 -179.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.89 -12.51 25.56 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.475 0.71 . . . . 0.0 112.235 178.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.4 mttt -95.19 -44.72 7.5 Favored 'General case' 0 C--O 1.222 -0.342 0 C-N-CA 126.357 1.863 . . . . 0.0 107.668 178.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.8 mt -58.18 -54.15 36.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 178.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.75 -27.91 63.46 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 122.472 0.309 . . . . 0.0 111.585 179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.7 tptp -67.38 -63.63 1.02 Allowed 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.359 1.064 . . . . 0.0 108.654 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.99 -36.99 78.38 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-O 118.28 -0.866 . . . . 0.0 110.808 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 78.4 mtp -58.4 -27.19 64.05 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 120.059 1.3 . . . . 0.0 110.406 178.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -73.93 -15.44 79.7 Favored Glycine 0 CA--C 1.526 0.77 0 O-C-N 121.222 -0.924 . . . . 0.0 111.7 178.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -82.96 -0.92 50.87 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 119.427 1.614 . . . . 0.0 112.166 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.08 60.84 0.95 Allowed Glycine 0 C--N 1.338 0.653 0 C-N-CA 125.65 1.595 . . . . 0.0 112.807 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -146.42 149.83 34.46 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 117.751 0.775 . . . . 0.0 110.482 179.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.35 157.09 30.84 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 123.854 0.862 . . . . 0.0 108.925 179.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -57.8 -41.84 82.97 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 121.493 -0.754 . . . . 0.0 113.018 -178.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -58.92 -45.81 89.45 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 119.044 0.838 . . . . 0.0 111.944 -178.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -64.88 -49.28 71.1 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 125.344 1.458 . . . . 0.0 109.94 -179.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 76.8 t -59.32 -47.65 89.76 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.226 0 C-N-CA 123.98 0.912 . . . . 0.0 110.426 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.2 tttt -60.24 -39.3 86.23 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 118.741 -0.647 . . . . 0.0 109.908 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -61.8 -54.06 47.39 Favored 'General case' 0 C--N 1.342 0.274 0 N-CA-C 107.602 -1.259 . . . . 0.0 107.602 -179.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.83 -46.75 84.28 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 123.335 0.654 . . . . 0.0 112.201 -179.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -60.99 -45.83 93.2 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.967 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -56.61 -51.98 66.61 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.796 0.838 . . . . 0.0 109.872 179.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 69.6 mt -57.67 -45.89 86.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.446 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.412 ' HA ' HG13 ' B' ' 39' ' ' VAL . . . -72.32 10.65 0.74 Allowed 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 55.19 37.56 29.08 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 121.903 2.138 . . . . 0.0 108.498 -177.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 54.33 48.78 19.96 Favored 'General case' 0 C--O 1.234 0.257 0 C-N-CA 127.711 2.404 . . . . 0.0 110.322 -178.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.495 HD22 HG23 ' A' ' 39' ' ' VAL . 54.8 t30 -115.7 103.91 11.16 Favored 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 124.484 1.113 . . . . 0.0 109.894 -179.457 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 24.9 t -48.28 -48.02 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 C-N-CA 125.801 1.64 . . . . 0.0 112.157 -179.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -56.35 -28.44 59.07 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.409 1.084 . . . . 0.0 113.281 -179.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.683 HG11 HG11 ' B' ' 39' ' ' VAL . 94.9 t -99.36 -38.53 6.94 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 CA-C-N 118.628 0.649 . . . . 0.0 110.024 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.62 -35.29 65.71 Favored 'General case' 0 CA--C 1.528 0.111 0 C-N-CA 123.533 0.733 . . . . 0.0 110.888 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -59.66 -48.39 81.85 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.7 m -64.06 -34.64 78.48 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 123.307 0.643 . . . . 0.0 110.958 179.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 88.9 mt -64.71 -53.81 37.63 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 179.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 29.7 mt -58.82 -29.69 67.08 Favored 'General case' 0 N--CA 1.464 0.229 0 C-N-CA 123.186 0.594 . . . . 0.0 110.196 179.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -65.19 -40.46 94.27 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 117.747 -1.12 . . . . 0.0 110.831 178.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -70.22 -46.47 64.44 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 119.609 1.095 . . . . 0.0 109.924 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -63.3 -30.4 71.54 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 122.431 0.293 . . . . 0.0 110.4 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.0 t -115.2 51.34 0.92 Allowed 'General case' 0 C--O 1.237 0.418 0 C-N-CA 126.506 1.922 . . . . 0.0 108.433 179.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -160.71 -172.99 28.74 Favored Glycine 0 CA--C 1.527 0.782 0 C-N-CA 124.244 0.926 . . . . 0.0 111.076 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -77.56 174.25 12.95 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 124.54 3.494 . . . . 0.0 112.18 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 m 59.8 176.47 0.09 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.304 1.842 . . . . 0.0 112.289 179.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.4 p -151.35 -171.25 3.88 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 123.875 0.87 . . . . 0.0 109.8 179.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.182 0 N-CA-C 106.208 -2.757 . . . . 0.0 106.208 179.632 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.652 0 CA-C-O 118.54 -1.144 . . . . 0.0 110.431 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 22.2 m -59.22 139.73 56.66 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 178.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 50.0 m 62.57 0.74 0.67 Allowed 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 124.935 1.294 . . . . 0.0 114.385 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.67 165.68 53.54 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 34.6 t -168.38 179.36 4.46 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 125.198 1.399 . . . . 0.0 107.436 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -157.63 132.01 8.37 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 102.673 -3.084 . . . . 0.0 102.673 178.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.34 -105.45 0.23 Allowed Glycine 0 CA--C 1.521 0.449 0 CA-C-O 118.985 -0.897 . . . . 0.0 111.829 -179.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -59.07 162.41 4.35 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 124.51 1.124 . . . . 0.0 112.535 -178.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 42.1 t -125.28 -57.15 2.01 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.088 0 C-N-CA 123.732 0.813 . . . . 0.0 112.402 -178.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -53.3 -39.71 64.21 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 119.274 0.943 . . . . 0.0 112.085 -178.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.09 -34.2 77.5 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.434 0.694 . . . . 0.0 111.408 178.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 51.7 mttp -69.99 -40.67 75.16 Favored 'General case' 0 CA--C 1.521 -0.141 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 69.4 mt -60.04 -49.31 84.52 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.128 0 N-CA-C 106.492 -1.67 . . . . 0.0 106.492 178.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.74 -41.93 78.36 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 118.085 0.402 . . . . 0.0 110.481 179.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 9.8 tptp -55.9 -51.27 68.19 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 123.217 0.607 . . . . 0.0 110.341 179.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -69.58 -45.75 67.94 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 117.92 -1.038 . . . . 0.0 111.325 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 87.4 mtp -53.4 -38.6 63.58 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 119.758 1.163 . . . . 0.0 110.102 179.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -59.58 -16.89 38.87 Favored Glycine 0 CA--C 1.529 0.927 0 CA-C-O 118.157 -1.357 . . . . 0.0 113.219 179.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -89.74 -9.33 49.77 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 120.19 1.995 . . . . 0.0 110.166 178.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.78 66.58 0.81 Allowed Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 124.68 1.134 . . . . 0.0 113.512 178.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -143.03 152.11 41.55 Favored 'General case' 0 C--O 1.24 0.574 0 N-CA-C 107.104 -1.443 . . . . 0.0 107.104 177.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.6 149.31 38.3 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 123.313 0.645 . . . . 0.0 110.478 -179.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -54.83 -41.93 71.28 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.05 0.54 . . . . 0.0 112.113 -179.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -62.65 -41.0 98.79 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 118.313 0.506 . . . . 0.0 111.895 -178.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -67.45 -49.24 64.53 Favored 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 125.984 1.714 . . . . 0.0 109.337 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 84.8 t -59.69 -50.88 78.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 114.224 -1.353 . . . . 0.0 109.913 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 65.0 tttt -56.08 -40.46 73.66 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 179.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 25.4 tpt180 -65.97 -48.52 71.01 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.77 -48.6 77.5 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.347 1.059 . . . . 0.0 111.648 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.55 -37.51 87.8 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-O 118.421 -0.799 . . . . 0.0 110.169 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -60.26 -49.63 76.83 Favored 'General case' 0 C--O 1.234 0.266 0 C-N-CA 124.011 0.924 . . . . 0.0 109.573 179.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 64.8 mt -61.69 -49.17 85.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 N-CA-C 107.577 -1.268 . . . . 0.0 107.577 179.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.29 4.91 1.11 Allowed 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 126.308 1.843 . . . . 0.0 114.791 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 51.59 43.08 30.0 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 120.577 1.535 . . . . 0.0 109.807 -178.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 57.68 52.03 8.71 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 128.966 2.906 . . . . 0.0 111.179 -179.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -116.63 114.28 23.87 Favored 'General case' 0 CA--C 1.527 0.092 0 N-CA-C 107.332 -1.358 . . . . 0.0 107.332 178.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 40.7 t -59.42 -43.64 90.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 C-N-CA 124.958 1.303 . . . . 0.0 112.926 -178.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -61.43 -55.36 32.21 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 123.737 0.815 . . . . 0.0 110.543 -178.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.683 HG11 HG11 ' A' ' 39' ' ' VAL . 58.5 t -62.25 -42.07 93.91 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 C-N-CA 123.358 0.663 . . . . 0.0 109.287 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.22 -35.82 70.14 Favored 'General case' 0 C--N 1.343 0.3 0 CA-C-N 118.935 0.788 . . . . 0.0 110.138 179.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -58.35 -55.96 28.22 Favored 'General case' 0 C--N 1.342 0.252 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 178.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 20.3 m -60.92 -35.47 76.77 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.059 0.943 . . . . 0.0 111.464 179.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 62.0 mt -63.38 -55.43 23.08 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-N 119.692 1.133 . . . . 0.0 108.312 179.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 20.4 mt -59.99 -26.52 66.11 Favored 'General case' 0 C--O 1.226 -0.179 0 C-N-CA 122.943 0.497 . . . . 0.0 110.184 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -34.57 77.85 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 117.924 -1.036 . . . . 0.0 111.741 179.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -82.98 -46.84 12.41 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 123.757 0.823 . . . . 0.0 110.32 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -63.6 -36.55 84.17 Favored 'General case' 0 C--N 1.341 0.205 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 -179.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 3.0 t -117.43 72.77 0.85 Allowed 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 125.72 1.608 . . . . 0.0 107.274 -179.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 171.7 -176.81 44.77 Favored Glycine 0 CA--C 1.527 0.828 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -78.12 175.79 10.73 Favored 'Trans proline' 0 N--CA 1.455 -0.749 0 C-N-CA 123.557 2.838 . . . . 0.0 110.003 179.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 9.3 m 77.21 137.17 0.06 Allowed 'General case' 0 C--O 1.234 0.289 0 C-N-CA 127.047 2.139 . . . . 0.0 110.799 179.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 34.8 p -127.65 -170.38 2.22 Favored 'General case' 0 C--O 1.238 0.494 0 C-N-CA 124.792 1.237 . . . . 0.0 110.271 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.785 0 N-CA-C 105.332 -3.107 . . . . 0.0 105.332 179.236 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.757 0 N-CA-C 109.88 -1.288 . . . . 0.0 109.88 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.1 m -152.59 154.66 35.83 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.606 1.562 . . . . 0.0 109.66 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.9 t -159.0 90.83 1.0 Allowed 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.288 1.435 . . . . 0.0 107.632 178.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.34 1.35 72.8 Favored Glycine 0 CA--C 1.529 0.93 0 C-N-CA 123.603 0.621 . . . . 0.0 111.944 179.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -73.44 176.71 5.81 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 126.018 1.727 . . . . 0.0 112.125 -179.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -122.57 -149.9 0.44 Allowed 'General case' 0 C--O 1.237 0.406 0 N-CA-C 106.229 -1.767 . . . . 0.0 106.229 179.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.81 -4.73 6.13 Favored Glycine 0 CA--C 1.523 0.577 0 C-N-CA 125.156 1.36 . . . . 0.0 112.532 179.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -145.38 154.4 42.25 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 119.027 1.413 . . . . 0.0 109.474 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 62.6 t -133.15 -55.66 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.175 0 C-N-CA 127.146 2.178 . . . . 0.0 107.657 -179.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -57.32 -47.82 80.56 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 123.638 0.775 . . . . 0.0 111.261 -179.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.08 -9.8 18.48 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 179.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 53.3 mttt -91.05 -33.07 15.65 Favored 'General case' 0 C--O 1.227 -0.108 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 178.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.4 mt -59.88 -57.73 10.39 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 N-CA-C 107.048 -1.464 . . . . 0.0 107.048 177.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.94 -17.3 36.71 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.126 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? -74.75 -65.01 0.92 Allowed 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 178.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -59.15 -37.09 76.44 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 118.066 -0.969 . . . . 0.0 112.677 -178.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 91.6 mtp -55.59 -35.71 66.09 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.558 1.072 . . . . 0.0 110.392 179.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.32 -12.55 66.3 Favored Glycine 0 C--N 1.341 0.829 0 C-N-CA 123.831 0.729 . . . . 0.0 113.127 179.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -86.97 0.53 54.99 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.073 1.437 . . . . 0.0 110.222 178.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.6 53.84 1.9 Allowed Glycine 0 C--N 1.337 0.59 0 C-N-CA 125.887 1.708 . . . . 0.0 113.996 178.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -136.57 158.86 43.45 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 124.273 1.029 . . . . 0.0 109.756 178.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.44 150.49 23.12 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 122.825 0.45 . . . . 0.0 110.101 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -51.74 -43.43 62.9 Favored 'General case' 0 CA--C 1.521 -0.159 0 C-N-CA 124.919 1.287 . . . . 0.0 113.518 -178.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -61.02 -41.34 96.36 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 118.239 0.472 . . . . 0.0 111.62 -177.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -70.79 -38.9 73.41 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 124.357 1.063 . . . . 0.0 109.483 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 79.8 t -64.02 -43.86 97.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 O-C-N 121.118 -0.989 . . . . 0.0 109.13 179.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -61.45 -32.32 72.29 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 121.455 -0.778 . . . . 0.0 110.063 179.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.3 tpt180 -71.82 -50.2 31.82 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.358 1.063 . . . . 0.0 108.834 178.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.06 -49.11 78.04 Favored 'General case' 0 N--CA 1.449 -0.482 0 C-N-CA 124.911 1.284 . . . . 0.0 113.158 -178.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.06 -34.28 77.73 Favored 'General case' 0 C--N 1.34 0.184 0 CA-C-O 117.844 -1.074 . . . . 0.0 111.882 -178.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -58.71 -53.17 61.37 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 119.431 1.014 . . . . 0.0 108.91 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 65.1 mt -59.44 -48.03 88.61 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.448 ' HA ' HG13 ' B' ' 39' ' ' VAL . . . -69.44 10.18 0.37 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.531 1.933 . . . . 0.0 116.006 -179.315 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 52.1 42.8 30.74 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 121.546 1.976 . . . . 0.0 110.092 -178.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 51.47 44.37 29.05 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 126.434 1.894 . . . . 0.0 111.441 -178.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -115.6 114.3 24.73 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 178.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 27.8 t -55.27 -45.47 77.69 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 C-N-CA 124.424 1.09 . . . . 0.0 110.424 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -52.39 -37.79 57.35 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.918 1.287 . . . . 0.0 112.818 -178.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.775 HG11 HG11 ' B' ' 39' ' ' VAL . 98.3 t -90.43 -39.6 12.11 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.186 0 C-N-CA 123.216 0.607 . . . . 0.0 110.279 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.35 -34.11 66.3 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 118.788 0.722 . . . . 0.0 110.194 179.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -56.89 -53.53 56.86 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 107.486 -1.302 . . . . 0.0 107.486 178.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.6 m -59.23 -48.03 83.13 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 124.304 1.042 . . . . 0.0 110.824 179.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 56.1 mt -53.83 -46.61 63.56 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 C-N-CA 123.255 0.622 . . . . 0.0 110.699 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 17.6 mt -65.46 -20.12 66.22 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 118.574 -0.727 . . . . 0.0 111.951 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 9.7 mtp180 -67.0 -35.45 79.97 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 119.941 1.246 . . . . 0.0 108.109 178.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -82.6 -44.69 15.5 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 119.128 -0.463 . . . . 0.0 111.298 178.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -68.71 -22.88 64.32 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.157 0.799 . . . . 0.0 113.157 -179.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.6 t -135.67 -118.15 0.17 Allowed 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 104.536 -2.394 . . . . 0.0 104.536 179.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 140.51 -165.4 26.1 Favored Glycine 0 CA--C 1.532 1.129 0 CA-C-N 120.123 1.329 . . . . 0.0 110.284 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -76.8 134.44 14.89 Favored 'Trans proline' 0 CA--C 1.538 0.698 0 C-N-CA 124.022 3.148 . . . . 0.0 108.96 179.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.0 m -141.62 103.53 4.39 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 118.45 0.568 . . . . 0.0 111.599 -179.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.0 t -71.56 151.98 43.36 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 179.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.732 -1.038 . . . . 0.0 110.96 -179.74 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.236 0 N-CA-C 109.612 -1.395 . . . . 0.0 109.612 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m -135.66 104.17 5.69 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 104.214 -2.513 . . . . 0.0 104.214 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.0 t -137.48 45.79 2.17 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 123.361 0.664 . . . . 0.0 111.727 -177.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.82 65.97 3.64 Favored Glycine 0 CA--C 1.528 0.9 0 N-CA-C 108.014 -2.034 . . . . 0.0 108.014 178.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 13.3 m -130.07 -174.53 3.35 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 127.031 2.132 . . . . 0.0 109.598 -178.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 3.1 t -142.01 -176.4 4.78 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 121.451 -0.781 . . . . 0.0 110.511 178.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.59 -113.68 0.51 Allowed Glycine 0 CA--C 1.525 0.712 0 N-CA-C 108.506 -1.838 . . . . 0.0 108.506 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -45.8 139.46 4.13 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 127.24 2.216 . . . . 0.0 111.807 -179.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 90.9 t -105.08 -57.1 4.62 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 C-N-CA 125.087 1.355 . . . . 0.0 110.661 -179.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -55.71 -34.36 65.04 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 119.632 1.105 . . . . 0.0 113.484 -178.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.82 -39.63 81.77 Favored 'General case' 0 CA--C 1.535 0.38 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 35.5 mttp -68.16 -44.5 75.85 Favored 'General case' 0 CA--C 1.518 -0.283 0 C-N-CA 124.763 1.225 . . . . 0.0 109.866 179.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 66.7 mt -55.44 -59.04 2.87 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.39 -32.05 56.28 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.67 -0.644 . . . . 0.0 112.686 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -58.11 -58.83 6.72 Favored 'General case' 0 C--N 1.341 0.22 0 C-N-CA 123.924 0.89 . . . . 0.0 109.059 179.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.506 HD21 HG13 ' B' ' 37' ' ' VAL . 4.1 mm? -67.15 -36.36 81.68 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-O 118.371 -0.824 . . . . 0.0 111.763 -179.609 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 95.6 mtp -55.56 -38.24 69.07 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 119.5 1.045 . . . . 0.0 110.448 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.17 -20.86 65.5 Favored Glycine 0 CA--C 1.525 0.713 0 CA-C-O 119.643 -0.532 . . . . 0.0 112.659 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -76.82 -5.0 46.48 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.732 1.266 . . . . 0.0 112.215 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 112.88 -3.69 25.8 Favored Glycine 0 C--N 1.335 0.509 0 CA-C-O 117.975 -1.458 . . . . 0.0 115.91 178.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -82.53 156.05 24.21 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 119.364 1.582 . . . . 0.0 111.36 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.28 158.38 24.8 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 123.842 0.857 . . . . 0.0 108.833 179.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -52.08 -48.12 64.85 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 125.312 1.445 . . . . 0.0 112.818 -178.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -61.18 -44.57 97.08 Favored 'General case' 0 CA--C 1.521 -0.144 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -178.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -59.52 -47.55 85.08 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 124.717 1.207 . . . . 0.0 109.496 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 97.4 t -64.37 -50.5 76.08 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.757 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 10.0 mtpt -58.14 -35.34 71.37 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 118.208 0.458 . . . . 0.0 111.415 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 24.3 tpt180 -65.67 -59.63 3.73 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 179.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.21 -42.1 76.68 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 124.414 1.086 . . . . 0.0 113.199 -178.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -63.21 -42.26 99.25 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 117.435 -1.269 . . . . 0.0 111.269 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -62.96 -49.52 74.39 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 120.407 1.458 . . . . 0.0 110.097 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 70.3 mt -55.82 -48.91 77.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.9 10.22 0.3 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.969 1.708 . . . . 0.0 114.907 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 55.57 38.4 30.15 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 120.982 1.719 . . . . 0.0 109.597 -178.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 54.28 49.39 18.66 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 128.574 2.749 . . . . 0.0 110.3 -178.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -116.75 118.21 31.91 Favored 'General case' 0 C--N 1.333 -0.131 0 C-N-CA 124.878 1.271 . . . . 0.0 107.722 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.506 HG13 HD21 ' B' ' 16' ' ' LEU . 65.5 t -65.25 -44.55 95.03 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 CA-C-N 118.656 0.662 . . . . 0.0 112.477 -179.316 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -55.44 -42.86 74.81 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.238 0.615 . . . . 0.0 110.455 -178.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.775 HG11 HG11 ' A' ' 39' ' ' VAL . 88.7 t -76.41 -47.29 30.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 C-N-CA 123.48 0.712 . . . . 0.0 109.627 179.462 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.38 -32.15 64.5 Favored 'General case' 0 C--N 1.341 0.197 0 CA-C-N 118.793 0.724 . . . . 0.0 111.624 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -59.76 -50.41 73.92 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 178.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 69.5 m -63.05 -36.15 82.63 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.84 0.856 . . . . 0.0 110.739 179.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 58.3 mt -60.64 -54.91 28.68 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 N-CA-C 107.113 -1.44 . . . . 0.0 107.113 178.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 28.1 mt -60.99 -30.34 70.23 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 124.118 0.967 . . . . 0.0 111.507 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 53.2 mtp180 -68.15 -37.42 81.01 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 118.329 0.513 . . . . 0.0 110.021 179.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.96 -39.36 23.79 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 123.651 0.78 . . . . 0.0 110.476 178.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -69.36 -37.05 77.43 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.979 1.312 . . . . 0.0 113.456 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 22.7 t -108.3 -71.5 0.76 Allowed 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 123.347 0.659 . . . . 0.0 109.394 -179.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 111.18 178.6 20.35 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 107.919 -2.072 . . . . 0.0 107.919 -177.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_endo -73.35 145.8 39.0 Favored 'Trans proline' 0 N--CA 1.448 -1.147 0 C-N-CA 122.061 1.84 . . . . 0.0 109.211 179.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 58.1 m -137.96 142.35 40.52 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 124.503 1.121 . . . . 0.0 108.431 -179.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 47.6 t -156.64 157.1 34.63 Favored 'General case' 0 C--O 1.236 0.366 0 C-N-CA 125.221 1.408 . . . . 0.0 108.411 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.289 0 C-N-CA 124.981 1.277 . . . . 0.0 110.159 179.906 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.754 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.8 p -168.3 87.62 0.22 Allowed 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 103.27 -2.863 . . . . 0.0 103.27 179.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.0 m -68.83 167.0 16.47 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.02 0.438 . . . . 0.0 110.906 -178.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.27 169.69 49.93 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 121.823 -0.548 . . . . 0.0 112.405 -179.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 53.65 40.08 30.99 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 126.862 2.065 . . . . 0.0 113.598 179.116 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.1 t -57.0 -54.76 43.04 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.189 -0.944 . . . . 0.0 111.92 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.48 -25.63 0.59 Allowed Glycine 0 CA--C 1.527 0.801 0 CA-C-N 119.918 1.235 . . . . 0.0 115.75 179.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -95.28 148.67 22.18 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 119.199 1.499 . . . . 0.0 111.105 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.0 p -122.76 -47.6 2.29 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 C-N-CA 124.454 1.102 . . . . 0.0 109.236 179.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -58.04 -35.92 71.99 Favored 'General case' 0 N--CA 1.466 0.364 0 O-C-N 121.727 -0.608 . . . . 0.0 111.27 -179.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.85 -40.62 95.44 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 121.369 0.604 . . . . 0.0 109.818 178.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.433 ' HB3' HD11 ' A' ' 30' ' ' LEU . 48.4 mttp -66.58 -42.54 86.85 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.485 0.714 . . . . 0.0 109.434 179.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 85.9 mt -59.05 -52.75 56.96 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.137 0 N-CA-C 107.133 -1.432 . . . . 0.0 107.133 179.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.8 -44.56 77.93 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 117.787 0.267 . . . . 0.0 110.571 179.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.7 tttp -56.46 -56.24 23.71 Favored 'General case' 0 C--N 1.34 0.165 0 C-N-CA 123.399 0.68 . . . . 0.0 110.305 179.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.59 -35.04 78.26 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-N 118.904 0.774 . . . . 0.0 111.931 179.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 84.3 mtp -60.83 -26.18 67.15 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 119.708 1.14 . . . . 0.0 108.168 177.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -75.12 -2.03 65.15 Favored Glycine 0 CA--C 1.534 1.265 0 C-N-CA 125.918 1.723 . . . . 0.0 112.009 178.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -97.75 2.75 49.89 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.226 1.513 . . . . 0.0 109.322 178.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.94 50.08 4.27 Favored Glycine 0 C--N 1.341 0.807 0 C-N-CA 124.838 1.208 . . . . 0.0 113.286 178.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 62.8 m-85 -133.92 150.06 51.31 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-N 118.142 0.971 . . . . 0.0 108.95 179.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.23 151.69 44.06 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-O 121.226 0.536 . . . . 0.0 109.575 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -53.64 -42.81 68.2 Favored 'General case' 0 C--N 1.333 -0.137 0 C-N-CA 123.016 0.526 . . . . 0.0 112.255 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -65.09 -24.86 67.56 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -178.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -83.83 -43.38 15.43 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.4 t -63.33 -54.25 35.37 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 C-N-CA 124.756 1.222 . . . . 0.0 111.041 -179.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt -57.12 -37.94 72.72 Favored 'General case' 0 C--N 1.333 -0.13 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -61.6 -52.97 62.2 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.68 -44.13 90.16 Favored 'General case' 0 N--CA 1.447 -0.603 0 C-N-CA 123.767 0.827 . . . . 0.0 112.309 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.433 HD11 ' HB3' ' A' ' 12' ' ' LYS . 3.1 mm? -60.26 -46.4 89.95 Favored 'General case' 0 C--N 1.34 0.176 0 CA-C-O 118.497 -0.763 . . . . 0.0 111.063 -179.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -56.76 -53.34 58.88 Favored 'General case' 0 C--N 1.332 -0.19 0 C-N-CA 124.046 0.938 . . . . 0.0 110.29 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.9 mt -57.13 -45.22 84.32 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 C-N-CA 123.885 0.874 . . . . 0.0 108.976 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.33 4.57 2.19 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 127.117 2.167 . . . . 0.0 115.035 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 56.88 41.13 28.35 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 120.371 1.441 . . . . 0.0 108.082 -177.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 54.01 58.8 4.71 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 128.953 2.901 . . . . 0.0 111.1 -178.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 36.2 t-20 -122.81 121.94 37.48 Favored 'General case' 0 N--CA 1.464 0.232 0 C-N-CA 124.804 1.242 . . . . 0.0 108.533 179.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.7 t -62.86 -46.65 95.81 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.191 0 C-N-CA 123.617 0.767 . . . . 0.0 112.243 -179.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -60.86 -46.48 90.43 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 118.733 0.697 . . . . 0.0 111.042 -178.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.726 HG11 HG11 ' B' ' 39' ' ' VAL . 47.4 t -69.11 -41.66 81.55 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 179.479 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.32 -40.24 89.88 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-N 119.606 1.093 . . . . 0.0 110.577 179.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 1.5 mtt-85 -59.22 -48.73 80.54 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 178.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.0 m -59.56 -39.6 84.59 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.259 1.024 . . . . 0.0 110.938 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 74.2 mt -64.6 -48.94 82.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-N 119.562 1.074 . . . . 0.0 108.42 178.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.9 mt -63.67 -28.08 69.66 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 121.811 -0.556 . . . . 0.0 110.059 179.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.2 mmt180 -70.42 -14.41 62.54 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 123.949 0.9 . . . . 0.0 110.722 178.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -100.15 -53.79 3.05 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 125.056 1.342 . . . . 0.0 108.073 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -64.64 -52.88 55.06 Favored 'General case' 0 C--N 1.344 0.336 0 CA-C-N 118.224 0.465 . . . . 0.0 112.227 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.1 t -83.94 -61.26 1.87 Allowed 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 -179.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 66.61 -178.0 16.06 Favored Glycine 0 CA--C 1.538 1.513 0 N-CA-C 110.345 -1.102 . . . . 0.0 110.345 -178.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -73.89 155.29 48.43 Favored 'Trans proline' 0 N--CA 1.455 -0.737 0 C-N-CA 122.246 1.964 . . . . 0.0 108.959 178.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.2 t -128.42 -40.74 1.59 Allowed 'General case' 0 C--O 1.235 0.301 0 C-N-CA 124.177 0.991 . . . . 0.0 109.497 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.9 m -148.58 32.03 0.8 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 127.699 2.4 . . . . 0.0 108.133 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.76 0 C-N-CA 124.668 1.128 . . . . 0.0 112.024 -177.953 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.671 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.59 169.26 19.34 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 125.502 1.521 . . . . 0.0 107.605 178.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 43.6 m -125.48 174.58 8.11 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 124.367 1.067 . . . . 0.0 110.975 -178.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.13 -164.15 36.9 Favored Glycine 0 CA--C 1.531 1.058 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 179.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 43.1 32.03 0.4 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 127.728 2.411 . . . . 0.0 115.192 178.502 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 14.1 t -58.1 -64.57 0.86 Allowed 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.261 -0.899 . . . . 0.0 111.039 -179.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.97 -77.1 0.11 Allowed Glycine 0 C--N 1.333 0.411 0 N-CA-C 109.006 -1.637 . . . . 0.0 109.006 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 15.5 m-80 -52.45 134.1 34.92 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 126.79 2.036 . . . . 0.0 110.908 -179.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 6.4 p -115.83 -28.28 2.34 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 C-N-CA 125.323 1.449 . . . . 0.0 110.692 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -58.26 -52.47 65.43 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 126.056 1.742 . . . . 0.0 110.174 -178.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.21 -17.77 64.76 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 122.443 0.297 . . . . 0.0 111.382 178.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 40.4 mttp -81.74 -43.25 18.67 Favored 'General case' 0 CA--C 1.517 -0.303 0 O-C-N 120.778 -1.201 . . . . 0.0 108.123 178.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 75.7 mt -61.38 -50.32 80.9 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 N-CA-C 104.988 -2.226 . . . . 0.0 104.988 178.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.83 -34.96 65.86 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.355 0.662 . . . . 0.0 112.218 179.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 36.9 tttp -65.8 -56.42 12.02 Favored 'General case' 0 CA--C 1.519 -0.223 0 C-N-CA 123.543 0.737 . . . . 0.0 110.757 179.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -62.95 -36.39 83.3 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 118.933 0.788 . . . . 0.0 110.393 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 89.6 mtp -62.66 -24.92 67.87 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 118.781 0.718 . . . . 0.0 109.512 177.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.42 -24.82 75.96 Favored Glycine 0 CA--C 1.525 0.668 0 C-N-CA 124.994 1.283 . . . . 0.0 111.195 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -68.81 -55.59 10.72 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 106.15 -1.796 . . . . 0.0 106.15 178.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 158.26 -5.82 0.15 Allowed Glycine 0 CA--C 1.524 0.624 0 C-N-CA 124.245 0.926 . . . . 0.0 114.301 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -71.53 156.13 39.78 Favored 'General case' 0 C--O 1.24 0.562 0 CA-C-N 118.663 1.232 . . . . 0.0 110.834 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.49 156.72 26.42 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 123.191 0.596 . . . . 0.0 110.694 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -55.6 -43.04 75.66 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 121.691 -0.631 . . . . 0.0 110.791 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -57.93 -31.94 67.31 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.507 1.123 . . . . 0.0 112.995 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -86.13 -47.93 9.06 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 125.149 1.38 . . . . 0.0 109.108 -179.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 72.2 t -59.1 -53.78 43.33 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 C-N-CA 124.246 1.018 . . . . 0.0 111.75 -178.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 21.6 ttpt -58.91 -36.94 75.54 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -63.18 -50.73 69.16 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 179.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.67 -43.54 97.54 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 124.099 0.96 . . . . 0.0 112.698 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.84 -41.68 99.44 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-N 119.443 1.019 . . . . 0.0 109.376 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.38 -51.21 70.34 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 118.809 0.732 . . . . 0.0 110.319 179.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 47.4 mt -58.88 -46.36 91.23 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.65 9.06 0.71 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 126.507 1.923 . . . . 0.0 114.501 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 54.71 32.49 17.48 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 120.432 1.469 . . . . 0.0 111.203 -178.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 68.12 49.53 0.85 Allowed 'General case' 0 C--O 1.237 0.406 0 C-N-CA 128.854 2.861 . . . . 0.0 111.218 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -121.05 116.19 24.56 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 123.999 0.92 . . . . 0.0 109.643 179.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 24.2 t -58.46 -45.78 89.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 C-N-CA 125.421 1.488 . . . . 0.0 111.421 179.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -57.84 -43.77 86.08 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 124.464 1.105 . . . . 0.0 110.803 -177.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.726 HG11 HG11 ' A' ' 39' ' ' VAL . 41.4 t -78.22 -40.6 25.79 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-O 119.48 -0.295 . . . . 0.0 110.28 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.4 -34.13 64.1 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 118.618 0.644 . . . . 0.0 111.879 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 43.1 mtt180 -56.45 -44.44 80.51 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 118.357 -0.83 . . . . 0.0 110.592 178.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 4.1 m -66.29 -39.32 89.29 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.666 0.786 . . . . 0.0 110.942 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 86.6 mt -62.11 -50.4 80.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 10.7 mt -63.68 -27.61 69.34 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.437 0.695 . . . . 0.0 109.888 179.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.32 -17.35 64.24 Favored 'General case' 0 C--N 1.341 0.201 0 O-C-N 121.177 -0.952 . . . . 0.0 110.761 178.217 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 59.0 mm-40 -101.55 -45.53 5.25 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-N 119.174 0.897 . . . . 0.0 110.773 177.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -65.02 -29.99 70.94 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 118.708 0.686 . . . . 0.0 112.443 179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 46.4 t -123.96 -55.12 1.7 Allowed 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.696 1.198 . . . . 0.0 108.071 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 64.62 -152.92 49.9 Favored Glycine 0 CA--C 1.527 0.795 0 CA-C-O 118.698 -1.057 . . . . 0.0 113.326 179.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -72.2 -175.35 1.7 Allowed 'Trans proline' 0 N--CA 1.457 -0.654 0 C-N-CA 123.968 3.112 . . . . 0.0 111.246 -179.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 24.9 t -161.59 -98.25 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 106.538 -1.653 . . . . 0.0 106.538 179.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 75.0 m -133.01 57.34 1.81 Allowed 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.54 1.136 . . . . 0.0 108.734 178.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 N-CA-C 105.156 -3.178 . . . . 0.0 105.156 179.09 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.998 0 CA-C-O 121.683 0.602 . . . . 0.0 112.034 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.9 p -60.33 -26.1 66.31 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 116.637 2.088 . . . . 0.0 116.637 -178.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.72 171.51 15.5 Favored 'General case' 0 C--O 1.235 0.308 0 O-C-N 120.715 -1.241 . . . . 0.0 110.281 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.58 -171.22 36.09 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 124.544 1.068 . . . . 0.0 111.27 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 t -73.3 144.04 46.75 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 p -166.75 -177.7 4.0 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 125.147 1.379 . . . . 0.0 110.082 -179.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.29 172.95 48.99 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 125.012 1.291 . . . . 0.0 109.96 -179.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -77.39 162.43 27.24 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 179.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 40.2 t -54.91 -44.65 73.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 C-N-CA 123.627 0.771 . . . . 0.0 109.538 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.3 -40.48 82.13 Favored 'General case' 0 N--CA 1.462 0.147 0 C-N-CA 124.26 1.024 . . . . 0.0 110.969 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.07 -39.48 94.84 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 122.935 0.494 . . . . 0.0 110.666 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.411 ' HB3' HD11 ' A' ' 30' ' ' LEU . 70.9 mttt -66.99 -47.45 71.49 Favored 'General case' 0 CA--C 1.519 -0.246 0 N-CA-C 108.57 -0.9 . . . . 0.0 108.57 179.262 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 56.8 mt -56.55 -56.81 11.87 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.153 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 178.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.98 -34.48 63.38 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 123.257 0.623 . . . . 0.0 111.601 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -64.32 -56.81 11.89 Favored 'General case' 0 C--N 1.341 0.239 0 CA-C-N 119.375 0.989 . . . . 0.0 108.647 178.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -58.96 -40.51 84.93 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 118.888 0.767 . . . . 0.0 110.137 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 90.9 mtp -61.05 -32.38 72.0 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 119.696 1.135 . . . . 0.0 109.523 178.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.04 -13.4 72.7 Favored Glycine 0 CA--C 1.531 1.045 0 C-N-CA 124.735 1.16 . . . . 0.0 111.475 178.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -79.42 -32.32 42.83 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-N 119.312 1.556 . . . . 0.0 107.14 179.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 123.67 67.92 0.21 Allowed Glycine 0 C--N 1.337 0.627 0 C-N-CA 125.597 1.57 . . . . 0.0 111.169 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -144.63 156.2 44.0 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.7 1.2 . . . . 0.0 110.631 178.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.56 158.85 30.84 Favored 'General case' 0 C--N 1.341 0.221 0 C-N-CA 124.87 1.268 . . . . 0.0 110.129 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -59.07 -43.23 91.73 Favored 'General case' 0 N--CA 1.452 -0.325 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 -178.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -68.76 -41.35 78.99 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 119.697 1.135 . . . . 0.0 112.412 -178.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -57.84 -50.53 72.98 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 123.581 0.752 . . . . 0.0 109.197 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.3 t -64.04 -45.56 96.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 O-C-N 121.783 -0.573 . . . . 0.0 110.747 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.7 ttpt -59.37 -33.39 71.12 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 118.559 0.618 . . . . 0.0 111.512 -179.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -75.83 -52.3 10.68 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 178.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.24 -46.59 72.61 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.54 1.136 . . . . 0.0 112.062 -178.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.411 HD11 ' HB3' ' A' ' 12' ' ' LYS . 2.8 mm? -62.08 -44.48 96.58 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.846 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -61.87 -48.8 78.91 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 119.107 0.867 . . . . 0.0 110.386 -179.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 95.7 mt -56.76 -46.23 83.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 N-CA-C 107.402 -1.332 . . . . 0.0 107.402 179.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.74 5.73 1.03 Allowed 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.76 1.624 . . . . 0.0 114.546 179.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 53.84 43.9 30.29 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 120.921 1.692 . . . . 0.0 107.549 -177.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 49.08 49.46 19.48 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 129.104 2.962 . . . . 0.0 110.493 -178.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -111.04 116.86 31.88 Favored 'General case' 0 N--CA 1.462 0.174 0 N-CA-C 106.499 -1.667 . . . . 0.0 106.499 178.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.2 t -58.04 -49.45 81.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 C-N-CA 123.656 0.783 . . . . 0.0 111.851 -179.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -60.96 -40.56 93.83 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -178.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.839 HG11 HG11 ' B' ' 39' ' ' VAL . 35.0 t -74.29 -40.46 50.13 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 179.235 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.97 -35.36 73.05 Favored 'General case' 0 CA--C 1.531 0.22 0 O-C-N 121.371 -0.831 . . . . 0.0 109.959 179.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 35.2 ttt-85 -64.97 -20.03 66.28 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 122.81 0.444 . . . . 0.0 111.454 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 50.0 m -90.76 -38.47 12.99 Favored 'General case' 0 C--O 1.226 -0.156 0 C-N-CA 124.903 1.281 . . . . 0.0 108.518 178.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 66.5 mt -58.12 -46.17 88.37 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 179.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 55.4 mt -70.02 -9.95 57.01 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 118.261 -0.876 . . . . 0.0 112.765 179.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -68.57 -41.65 79.41 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 176.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -74.91 -51.33 14.07 Favored 'General case' 0 CA--C 1.523 -0.082 0 O-C-N 123.994 0.808 . . . . 0.0 110.274 179.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -63.56 -8.26 9.27 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 -178.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.0 t -136.36 21.35 3.18 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.414 1.006 . . . . 0.0 110.956 178.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -169.16 -177.26 39.76 Favored Glycine 0 CA--C 1.525 0.682 0 O-C-N 120.392 -1.442 . . . . 0.0 114.579 -178.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -70.17 158.99 54.69 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 123.382 2.721 . . . . 0.0 112.266 -179.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.1 m -94.25 -45.43 7.51 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 125.468 1.507 . . . . 0.0 111.158 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 52.0 p -148.91 -177.88 6.05 Favored 'General case' 0 C--O 1.235 0.325 0 C-N-CA 125.437 1.495 . . . . 0.0 109.323 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.948 0 N-CA-C 109.334 -1.507 . . . . 0.0 109.334 179.834 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.85 0 N-CA-C 109.138 -1.585 . . . . 0.0 109.138 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 3.9 p -54.6 -28.21 44.74 Favored 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 125.104 1.362 . . . . 0.0 113.367 -179.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -155.34 167.63 29.74 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 106.524 -1.658 . . . . 0.0 106.524 179.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.66 179.42 30.27 Favored Glycine 0 CA--C 1.528 0.87 0 CA-C-O 121.877 0.709 . . . . 0.0 112.584 179.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -87.91 98.46 11.5 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 107.077 -1.453 . . . . 0.0 107.077 179.691 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 60.0 p -123.09 -177.25 3.63 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.594 1.158 . . . . 0.0 110.406 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.02 -178.01 37.2 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 124.483 1.039 . . . . 0.0 111.898 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 -85.62 156.87 20.52 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.686 1.195 . . . . 0.0 110.886 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 53.6 t -52.15 -42.43 35.78 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 C-N-CA 126.305 1.842 . . . . 0.0 110.004 179.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.16 -51.69 61.2 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 125.514 1.526 . . . . 0.0 112.026 -179.705 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.53 -25.78 68.21 Favored 'General case' 0 C--O 1.23 0.078 0 CA-C-O 119.131 -0.462 . . . . 0.0 112.108 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.424 ' HB3' HD11 ' B' ' 30' ' ' LEU . 45.2 mttp -72.45 -41.12 66.45 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 179.156 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 94.1 mt -61.08 -51.02 78.04 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 N-CA-C 105.635 -1.987 . . . . 0.0 105.635 178.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.4 -41.64 80.69 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 121.829 -0.545 . . . . 0.0 110.561 179.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 31.2 tttp -58.51 -53.34 59.44 Favored 'General case' 0 C--N 1.339 0.134 0 C-N-CA 123.68 0.792 . . . . 0.0 111.141 179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -68.25 -40.5 81.95 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 117.392 -1.289 . . . . 0.0 110.723 179.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' MET . . . . . . . . . . . . . 93.2 mtp -55.41 -35.96 65.94 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 120.525 1.511 . . . . 0.0 109.201 178.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . -61.2 -18.36 54.88 Favored Glycine 0 CA--C 1.531 1.043 0 C-N-CA 125.091 1.329 . . . . 0.0 113.561 179.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -86.08 -5.0 59.29 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 119.504 1.652 . . . . 0.0 109.721 178.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.37 66.05 0.98 Allowed Glycine 0 C--N 1.338 0.682 0 C-N-CA 126.004 1.764 . . . . 0.0 112.556 179.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -139.96 161.15 38.29 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 124.388 1.075 . . . . 0.0 109.964 178.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.428 ' HB3' ' CG ' ' B' ' 25' ' ' GLU . . . -77.35 156.64 31.13 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 122.841 0.456 . . . . 0.0 110.68 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -62.59 -44.58 95.96 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 122.069 -0.395 . . . . 0.0 110.357 178.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -63.29 -40.72 98.16 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 117.798 0.272 . . . . 0.0 111.026 -178.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.428 ' CG ' ' HB3' ' B' ' 22' ' ' ALA . 5.6 mm-40 -63.24 -53.38 53.84 Favored 'General case' 0 N--CA 1.461 0.078 0 C-N-CA 125.444 1.497 . . . . 0.0 109.083 179.514 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 75.7 t -60.32 -52.66 58.79 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 C-N-CA 124.072 0.949 . . . . 0.0 111.696 -178.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 25.5 ttpt -55.24 -39.49 69.79 Favored 'General case' 0 CA--C 1.518 -0.258 0 O-C-N 123.961 0.788 . . . . 0.0 110.18 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -70.45 -51.59 28.2 Favored 'General case' 0 N--CA 1.453 -0.289 0 O-C-N 123.504 0.503 . . . . 0.0 110.298 -179.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.89 -39.12 77.12 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 118.382 -0.818 . . . . 0.0 111.515 -179.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' B' ' 35' ' ' ASN . 0.7 OUTLIER -63.18 -43.32 98.58 Favored 'General case' 0 C--N 1.343 0.304 0 CA-C-N 119.945 1.248 . . . . 0.0 108.451 178.572 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.09 -48.3 78.93 Favored 'General case' 0 C--O 1.234 0.25 0 C-N-CA 125.501 1.52 . . . . 0.0 109.707 -179.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 76.3 mt -64.13 -45.75 95.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.424 ' HB2' HD12 ' B' ' 43' ' ' ILE . . . -67.48 13.78 0.06 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.666 1.986 . . . . 0.0 115.228 -179.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' GLN . . . . . 0.598 ' HG3' HG22 ' A' ' 39' ' ' VAL . 6.3 mm100 54.18 42.6 31.46 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 120.955 1.707 . . . . 0.0 107.893 -178.027 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . 0.447 ' HA ' HD12 ' B' ' 30' ' ' LEU . 87.3 m-20 51.88 36.19 17.55 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 128.337 2.655 . . . . 0.0 111.258 -178.542 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 36.3 t-20 -109.82 119.42 39.29 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 120.122 1.328 . . . . 0.0 112.238 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 40.8 t -55.63 -44.88 78.36 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 C-N-CA 124.876 1.27 . . . . 0.0 112.007 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -58.13 -33.11 68.8 Favored 'General case' 0 C--O 1.231 0.08 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 -177.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.839 HG11 HG11 ' A' ' 39' ' ' VAL . 61.9 t -92.62 -41.06 12.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 C-N-CA 123.244 0.618 . . . . 0.0 110.694 -179.296 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.03 -35.69 64.71 Favored 'General case' 0 C--O 1.231 0.105 0 C-N-CA 123.876 0.87 . . . . 0.0 111.684 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . . . . . . . . . 50.3 ttt-85 -62.53 -43.09 99.66 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 179.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 23.1 m -69.96 -34.65 73.68 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.165 0.586 . . . . 0.0 110.36 178.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.424 HD12 ' HB2' ' B' ' 33' ' ' ALA . 30.5 mt -60.71 -48.61 87.97 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 178.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 36.8 mt -62.5 -20.58 64.74 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.529 0.732 . . . . 0.0 112.414 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 -68.6 -38.71 80.84 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 120.078 1.308 . . . . 0.0 111.053 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -76.01 -43.43 44.28 Favored 'General case' 0 CA--C 1.531 0.235 0 O-C-N 123.704 0.627 . . . . 0.0 109.771 179.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -67.59 -37.35 82.46 Favored 'General case' 0 CA--C 1.529 0.17 0 O-C-N 121.632 -0.667 . . . . 0.0 111.418 179.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.97 60.1 0.78 Allowed 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 126.353 1.861 . . . . 0.0 110.662 -177.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . 165.33 -179.76 39.61 Favored Glycine 0 CA--C 1.524 0.607 0 O-C-N 121.026 -1.046 . . . . 0.0 113.137 179.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -77.5 152.58 30.03 Favored 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 122.818 2.346 . . . . 0.0 110.282 179.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' SER . . . . . . . . . . . . . 23.2 m -90.15 -16.75 28.92 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 124.471 1.108 . . . . 0.0 112.75 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 1.6 p -151.66 168.86 23.67 Favored 'General case' 0 C--O 1.237 0.423 0 O-C-N 121.183 -0.948 . . . . 0.0 109.259 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.226 0 N-CA-C 108.224 -1.951 . . . . 0.0 108.224 -178.623 . . . . . . . . 0 0 . 1 stop_ save_